Category: 599-64-4

Zorn, Kimberley M.;Foil, Daniel H.;Lane, Thomas R.;Russo, Daniel P.;Hillwalker, Wendy;Feifarek, David J.;Jones, Frank;Klaren, William D.;Brinkman, Ashley M.;Ekins, Sean published 《Machine Learning Models for Estrogen Receptor Bioactivity and Endocrine Disruption Prediction》. The research results were published in《Environmental Science & Technology》 in 2020.Recommanded Product: 4-(2-Phenylpropan-2-yl)phenol The article conveys some information:

The U. S. Environmental Protection Agency (EPA) periodically releases in vitro data across a variety of targets, including the estrogen receptor (ER). In 2015, the EPA used this data to construct math. models of ER agonist and antagonist pathways to prioritize chems. for endocrine disruption testing. However, math. models require in vitro data prior to predicting estrogenic activity, but machine learning methods are capable of prospective prediction from mol. structure alone. The current study describes the generation and evaluation of Bayesian machine learning models grouped by the EPA’s ER agonist pathway model, using multiple data types with proprietary software, Assay Central. External predictions with three test sets of in vitro and in vivo reference chems. with agonist activity classifications were compared to previous math. model publications. Training datasets were subjected to addnl. machine learning algorithms and compared with rank normalized scores of internal five-fold cross-validation statistics. External predictions were found to be comparable or superior to previous studies published by the EPA. When assessing six addnl. algorithms for the training datasets, Assay CentralTM performed similarly at a reduced computational cost. This study demonstrates machine learning can prioritize chems. for future in vitro and in vivo testing of ER agonism. And 4-(2-Phenylpropan-2-yl)phenol (cas: 599-64-4) was used in the research process.

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Product Details of 599-64-4In 2022, Ma, Chuan;Kumagai, Shogo;Saito, Yuko;Kameda, Tomohito;Yoshioka, Toshiaki published 《An integrated utilization strategy of printed circuit boards and waste tire by fast co-pyrolysis: Value-added products recovery and heteroatoms transformation》. 《Journal of Hazardous Materials》published the findings. The article contains the following contents:

Fast co-pyrolysis has been suggested as a promising technique to solve the environmental issues and simultaneously recover value-added products from polymer wastes. However, to date, no studies have focused on fast co-pyrolysis of printed circuit boards (PCB) and waste tire (WT). Therefore, we comprehensively investigated the fast co-pyrolysis of PCB and WT using pyrolysis-gas chromatog./mass spectrometry. The results show that an increase in temperature during fast pyrolysis improved the interactions between the PCB and WT pyrolyzates, increasing the formation of aliphatic and aromatic compounds The formation of p-cymene was greatly induced by the isomerization and dehydrogenation reactions of -limonene. Co-pyrolysis reduced the formation of brominated phenols and benzothiazole from PCB and WT pyrolysis, resp., whereas promoted the interactions between Br- and S/N-containing radicals, concentrating them into heavy compounds Increasing the temperature enhanced the release of heteroatom compounds The findings suggest that debromination of PCB achieved via dehydrogenation of WT pyrolysis provoked secondary reactions of olefins and interactions of heteroatom radicals. The major products were accurately predicted by different fitting models using response surface methodol., indicating the synergistic interactions during co-pyrolysis. The results were beneficial for optimizing the exptl. parameters to obtain the maximum yield of desired products. To complete the study, the researchers used 4-(2-Phenylpropan-2-yl)phenol (cas: 599-64-4) .

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Application In Synthesis of 4-(2-Phenylpropan-2-yl)phenol《An interim internal Threshold of Toxicologic Concern (iTTC) for chemicals in consumer products, with support from an automated assessment of ToxCast dose response data》 was published in 2020. The authors were Blackburn, Karen L.;Carr, Gregory;Rose, Jane L.;Selman, Bastian G., and the article was included in《Regulatory Toxicology and Pharmacology》. The author mentioned the following in the article:

Addnl. non-animal methods are urgently needed to meet regulatory and animal welfare goals. TTC is a broadly used risk assessment tool. TTC based on external dose has limited utility for multi-route exposure and some types of structure activity relationship assessments. An internal TTC (iTTC), where thresholds are based on blood concentration, would extend the applicability of TTC. While work is on-going to develop robust iTTC thresholds, we propose an interim conservative iTTC. Specifically, an interim iTTC of 1μM, supported by the published experience of the pharmaceutical industry, a literature review of non-drug chem./receptor interactions, and anal. of ToxCast data. ToxCast data were used to explore activity vs. the 1μM interim iTTC and recommendations for the anal. and interpretation of HTS data. Test concentration-based points of departure were classified to identify quality of fit to the Hill Model. We identified, for exclusion from the approach, estrogen receptor and androgen receptor targets as potent chem./receptor interactions potentially associated with low dose exposure to non-pharmaceutical active ingredients in addition to the original TTC exclusions. With these exclusions, we conclude that a 1μM plasma concentration is unlikely to be associated with significant biol. effects from chems. not intentionally designed for biol. activity. To complete the study, the researchers used 4-(2-Phenylpropan-2-yl)phenol (cas: 599-64-4) .

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Lee, Seok-Hee;Seo, Huiwon;Seo, Hyeyeong;Lazari, Maria;D’Agostino, Martin;Byrd, Nick;Yoon, Kyong Sup;Lee, Hee-Seok;Park, Yooheon published 《An In vitro dimerization assay for the adverse outcome pathway approach in risk assessment of human estrogen receptor α-mediated endocrine-disrupting chemicals》. The research results were published in《Chemosphere》 in 2022.Application In Synthesis of 4-(2-Phenylpropan-2-yl)phenol The article conveys some information:

The adverse outcome pathway (AOP) has been recently proposed as an effective framework for chem. risk assessment. The AOP framework offers the advantage of effectively integrating individual in vitro studies and in silico prediction models. Thus, the development of an effective testing method to measure key events caused by chems. is essential for chem. risk assessment through a fully developed AOP framework. We developed a human cell-based estrogen receptor α (ERα) dimerization assay using the bioluminescence resonance energy transfer (BRET) technique and evaluated the ERα dimerization activities of 72 chems. Fifty-one chems. were identified to mediate dimerization of ERα, and the BRET-based ERα dimerization assay could effectively measure the events that mediated dimerization of ERα by the estrogenic chems. These results were compared with the results of pre-existing assay to determine whether the BRET-based ERα dimerization assay could be employed as an in vitro test method to provide scientific information for explaining key events as a part of the AOP framework. Consequently, we propose that the BRET-based ERα dimerization assay is suitable for measuring the chem.-mediated dimerization of ERα, a key event in the AOP framework for cellular-level risk assessment of estrogenic chems. To complete the study, the researchers used 4-(2-Phenylpropan-2-yl)phenol (cas: 599-64-4) .

4-(2-Phenylpropan-2-yl)phenol(cas:599-64-4) is a natural product found in Panax ginseng.Application In Synthesis of 4-(2-Phenylpropan-2-yl)phenol 4-(2-Phenylpropan-2-yl)phenol is a useful reagent for preparing and characterizing aromatic polyphosphonates as high refractive index polymers.

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Minakawa, Maki;Sakurai, Yuya published 《Bismuth(III) Triflate-Catalyzed Intermolecular Cyclization of Phenols with Diols: Direct Access to O-Heterocycles》 in 2022. The article was appeared in 《Synlett》. They have made some progress in their research.SDS of cas: 599-64-4 The article mentions the following:

A direct access to O-heterocycles e.g., I by Bi(OTf)₃-catalyzed intermol. cyclization of phenols such as naphthalene-2,6-diol, 2-naphthol, 4-(2-phenylpropan-2-yl)phenol, etc. with diols such as, propane-1,3-diol, pentane-2,4-diol, 2,5-dimethylhexane-2,5-diol, etc.was described. Catalytic dehydrative tandem formation of C-O and C-C bonds was achieved by using a Bi(OTf)₃ catalyst without any additives. The catalytic intermol. cyclization of phenols with various diols proceeded to give the corresponding chromanes e.g., I in up to 91% yield and/or furan derivatives II [R = H, Me; R¹ = iso-Pr, ethyl; R² = H, Me; R³ = H, COOMe] up to 66% yield. The experimental procedure involved many compounds, such as 4-(2-Phenylpropan-2-yl)phenol (cas: 599-64-4) .

4-(2-Phenylpropan-2-yl)phenol(cas:599-64-4) is a natural product found in Panax ginseng.SDS of cas: 599-64-4 4-(2-Phenylpropan-2-yl)phenol is a useful reagent for preparing and characterizing aromatic polyphosphonates as high refractive index polymers.

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Gray, Leon E. Jr.;Furr, Johnathan R.;Lambright, Christy S.;Evans, Nicola;Hartig, Phillip C.;Cardon, Mary C.;Wilson, Vickie S.;Hotchkiss, Andrew K.;Conley, Justin M. published 《Quantification of the uncertainties in extrapolating from in vitro androgen receptor antagonism to in vivo hershberger assay endpoints and adverse reproductive development in male rats》 in 2020. The article was appeared in 《Toxicological Sciences》. They have made some progress in their research.Synthetic Route of C15H16O The article mentions the following:

Multiple mol. initiating events exist that disrupt male sexual differentiation in utero including androgen receptor (AR) antagonism and inhibition of synthesis, and metabolism of fetal testosterone. Disruption of androgen signaling by AR antagonists in utero reduces anogenital distance (AGD) and induces malformations in F1 male rat offspring. We are developing a quant. network of adverse outcome pathways that includes multiple mol. initiating events and key events linking anti-AR activities to permanent reproductive abnormalities. Here, our objective was to determine how accurately the EC50s for AR antagonism in vitro or ED50s for reduced tissue growth in the Hershberger assay (HA) (key events in the adverse outcome pathway) predict the ED50s for reduced AGD in male rats exposed in utero to AR antagonists. This effort included inhouse data and published studies from the last 60 years on AR antagonism in vitro and in vivo effects in the HA and on AGD after in utero exposure. In total, more than 250 studies were selected and included in the anal. with data from about 60 potentially antiandrogenic chems. The ability to predict ED50s for key events and adverse developmental effects from the in vitro EC50s displays considerable uncertainty with R2 values for HA and AGD of < 6%. In contrast, there is considerably less uncertainty in extrapolating from the ED50s in the HA to the ED50s for AGD (R2 value of about 85%). In summary, the current results suggest that the key events measured in the HA can be extrapolated with reasonable certainty to predict the ED50s for the adverse in utero effects of antiandrogenic chems. on male rat offspring. The experimental procedure involved many compounds, such as 4-(2-Phenylpropan-2-yl)phenol (cas: 599-64-4) .

4-(2-Phenylpropan-2-yl)phenol(cas:599-64-4) is a natural product found in Panax ginseng.Synthetic Route of C15H16O 4-(2-Phenylpropan-2-yl)phenol is a useful reagent for preparing and characterizing aromatic polyphosphonates as high refractive index polymers.

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Zhu, Lihui;Li, Jiasheng;Yang, Jun;Au-Yeung, Ho Yu published 《Cross dehydrogenative C-O coupling catalysed by a catenane-coordinated copper(I)》. The research results were published in《Chemical Science》 in 2020.Formula: C15H16O The article conveys some information:

Catalytic activity of copper(I) complexes supported by phenanthroline-containing catenane ligands towards a new C(sp3)-O dehydrogenative cross-coupling of phenols ROH (R = Ph, 4-(2-phenylpropan-2-yl)phenyl, 2-formyl-4-methoxyphenyl, etc.) and bromodicarbonyls R¹C(O)CH(Br)C(O)R² (R¹ = Me, Ph, OBn, etc.; R² = OEt, OMe, OtBu, OBn) is reported. As the phenanthrolines are interlocked by the strong and flexible mech. bond in the catenane, the active catalyst with an open copper coordination site can be revealed only transiently and the stable, coordinatively saturated Cu(I) pre-catalyst is quickly regenerated after substrate transformation. Compared with a control Cu(I) complex supported by non-interlocked phenanthrolines, the catenane-supported Cu(I) is highly efficient with a broad substrate scope, and can be applied in gram-scale transformations without a significant loss of the catalytic activity. This work demonstrates the advantages of the catenane ligands that provide a dynamic and responsive copper coordination sphere, highlighting the potential of the mech. bond as a design element in transition metal catalyst development. To complete the study, the researchers used 4-(2-Phenylpropan-2-yl)phenol (cas: 599-64-4) .

4-(2-Phenylpropan-2-yl)phenol(cas:599-64-4) is a natural product found in Panax ginseng.Formula: C15H16O 4-(2-Phenylpropan-2-yl)phenol is a useful reagent for preparing and characterizing aromatic polyphosphonates as high refractive index polymers.

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Du, Zong-Da;Cui, Yuan-Yuan;Yang, Cheng-Xiong;Yan, Xiu-Ping published 《Synthesis of magnetic amino-functionalized microporous organic network composites for magnetic solid phase extraction of endocrine disrupting chemicals from water, beverage bottle and juice samples》. The research results were published in《Talanta》 in 2020.HPLC of Formula: 599-64-4 The article conveys some information:

In this work, the magnetic amino-functionalized microporous organic network composites (Fe₃O₄@MON-NH₂) were rational designed and facile synthesized for magnetic solid phase extraction (MSPE) of endocrine disrupting chems. (EDCs), followed by their anal. with high-performance liquid chromatog. The incorporation of amino groups (hydrogen bonding sites) into hydrophobic MON-NH₂ networks led to their good enrichment for four typical EDCs bisphenol A (BPA), 4-alpha-cumylphenol (4-α-CP), 4-tert-octylphenol (4-t-OP) and 4-nonylphenol (4-NP) relying on the pre-designed hydrogen bonding, π-π and hydrophobic interactions. The combination of MON-NH₂ shell and magnetic Fe₃O₄ core provided a fast extraction of BPA, 4-α-CP, 4-t-OP and 4-NP from matrix solution Under the optimal conditions, the developed method offered good linearity (R² > 0.990) in the range of 0.05-1000 μg L^-1, low limits of detection (S/N = 3) of 0.015-0.030 μg L^-1 and large enrichment factors of 172-197 for the studied EDCs. The maximum adsorption capacities of BPA, 4-α-CP, 4-t-OP and 4-NP were 124.1, 105.6, 116.6 and 117.9 mg g^-1, resp. The Fe₃O₄@MON-NH₂ gave larger selectivity for other polar phenols than non-polar polycyclic aromatic hydrocarbons, revealing the dominant role of hydrogen bonding interaction during the extraction and the potential of Fe₃O₄@MON-NH₂ for other polar phenols. The developed method was successfully applied for the anal. of EDCs in water, orange juice and beverage bottle samples with the recoveries of 80.3-109.5%. These results revealed the potential of functional MONs as efficient adsorbents in sample pretreatment. The experimental procedure involved many compounds, such as 4-(2-Phenylpropan-2-yl)phenol (cas: 599-64-4) .

4-(2-Phenylpropan-2-yl)phenol(cas:599-64-4) is a natural product found in Panax ginseng.HPLC of Formula: 599-64-4 4-(2-Phenylpropan-2-yl)phenol is a useful reagent for preparing and characterizing aromatic polyphosphonates as high refractive index polymers.

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Ai, Han-Jun;Zhang, Youcan;Zhao, Fengqian;Wu, Xiao-Feng published 《Rhodium-Catalyzed Carbonylative Synthesis of Aryl Salicylates from Unactivated Phenols》 in 2020. The article was appeared in 《Organic Letters》. They have made some progress in their research.SDS of cas: 599-64-4 The article mentions the following:

In the presence of RhCl₃ and 1,2-bis(dicyclohexylphosphino)ethane (dcpe), phenols underwent carbonylative esterification reactions with CO mediated by TEMPO in 1.4-dioxane/toluene to yield aryl salicylates such as Ph salicylate. Under similar conditions, but using 1,3-bis(diphenylphosphino)propane as the ligand, di-Ph carbonate was obtained as the major product. The mechanism of the reaction was studied using the reactions of potential intermediates and using kinetic isotope effects.4-(2-Phenylpropan-2-yl)phenol (cas: 599-64-4) were involved in the experimental procedure.

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Category: alcohols-buliding-blocksIn 2021, Ma, Chuan;Sanchez-Rodriguez, Daniel;Kamo, Tohru published 《A comprehensive study on the oxidative pyrolysis of epoxy resin from fiber/epoxy composites: Product characteristics and kinetics》. 《Journal of Hazardous Materials》published the findings. The article contains the following contents:

Thermal treatment has been the most feasible process to recycle valuable carbon fibers and obtain fuel and chems. from waste fiber/epoxy composites. The present work studied the oxidative pyrolysis behaviors of epoxy resin from fiber/epoxy composites using a thermogravimetric apparatus and a fixed-bed reactor, resp. The effects of various O₂ concentrations on the thermal behaviors of epoxy resin were investigated and the product characteristics were analyzed. Furthermore, a multi distributed activation energy model (multi-DAEM) was first developed to determine the oxidative pyrolysis kinetics of epoxy resin under various atmospheres. Results showed that the degradation behaviors of epoxy resin were largely altered by the O₂ concentrations High O₂ concentrations accelerated the primary decomposition of epoxy resin and shifted the oxidation of resin residue into lower temperatures High contents of methylcyclohexene and phenolic derivatives were detected in liquid products. In air atm., high yields of CO and CO₂ were generated and distributed in several stages. The kinetic anal. indicated that the multi-DAEM method can well explain the oxidative pyrolysis behaviors of epoxy resin. A min. six-reaction fitting process can perfectly simulate the oxidative pyrolysis of epoxy resin. The predictions for various O₂ concentrations were in good agreement with the exptl. tests. To complete the study, the researchers used 4-(2-Phenylpropan-2-yl)phenol (cas: 599-64-4) .

4-(2-Phenylpropan-2-yl)phenol(cas:599-64-4) is a natural product found in Panax ginseng.Category: alcohols-buliding-blocks 4-(2-Phenylpropan-2-yl)phenol is a useful reagent for preparing and characterizing aromatic polyphosphonates as high refractive index polymers.

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