Month: April 2022

Product Details of 7661-33-8. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 1-(4-Chlorophenyl)pyrrolidin-2-one, is researched, Molecular C10H10ClNO, CAS is 7661-33-8, about Carbon-13, nitrogen-15m, and oxygen-17 NMR chemical shifts of substituted 1-phenyl-2-pyrrolidinones. Author is Ruostesuo, P.; Hakkinen, A. M.; Karjalainen, J..

The C-13 and N-15 NMR chem. shifts and the direct C-proton coupling constants of 1-phenyl-2-pyrrolidinone and its 2′-Me,3′-Me,4′-Me,2′-chloro,3′-chloro,4′-chloro,3′-methoxy,4′-methoxy and 4′-nitro derivatives were measured in di-Me sulfoxidde. The O-17 NMR chem. shifts of some of the compounds were determined in acetone. The effect of substituents on the chem. shifts of carbonyl carbons correlates well with the Hammett substituent parameters and the N chem. shifts seem to follow a similar trend. The variation of the O chem. shift due to the substituents is small. The chem. shifts of aromatic carbons can mainly be derived using the substituent parameters of benzene, some deviation probably due to steric effects is observable, however.

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Application of 12080-32-9. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about Understanding Doping Effects on Electronic Structures of Gold Superatoms: A Case Study of Diphosphine-Protected M@Au12 (M = Au, Pt, Ir). Author is Hirai, Haru; Takano, Shinjiro; Nakamura, Toshikazu; Tsukuda, Tatsuya.

Dopants into ligand-protected Au superatoms have been hitherto limited to group X-XII elements (Pt, Pd, Ag, Cu, Hg, and Cd). To expand the scope of the dopants to the group IX elements, the authors synthesized unprecedented [IrAu12(dppe)5Cl2]+ [IrAu12; dppe = 1,2-bis(diphenylphosphino)ethane] and [PtAu12(dppe)5Cl2]2+ (PtAu12) and compared their electronic structures with that of [Au13(dppe)5Cl2]3+ (Au13). Single-crystal x-ray diffractometry, 31P{1H} NMR, and Ir L3-edge extended X-ray absorption fine structure anal. of IrAu12 revealed that the single Ir atom is located at the center of the icosahedral IrAu12 core. Electrochem. anal. demonstrated that the energy levels of the highest occupied MOs are upshifted in the order of Au13 < PtAu12 < IrAu12. This trend was qual. explained in such a manner that the jellium core potential at the central position becomes shallower by replacing Au+ with Pt0 and further with Ir-. IrAu12 underwent reversible redox reactions between the charge states of 1+ and 2+. The gradual increase of the energy gap between the HOMO and LUMO in the order of Au13 < PtAu12 < IrAu12 was observed by electrochem. measurement and optical spectroscopy. This study provides a simple guiding principle to tune the electronic structures of heterometal-doped superatoms. The orbital energies of [IrAu12(dppe)5Cl2]+ (IrAu12) and [PtAu12(dppe)5Cl2]2+ (PtAu12) were compared with those of [Au13(dppe)5Cl2]3+ (Au13) by electrochem. anal. The superat. orbitals were shifted up in the order of IrAu12 > PtAu12 > Au13. The result was explained by the upshift of the bottom of the effective potential due to different formal charge states of the dopants. Whereas Au was incorporated as Au+, Ir and Pt were incorporated as Ir- and Pt0, resp.

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So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Wang, Lei; Li, Sun; Bluemel, Marcus; Puttreddy, Rakesh; Peuronen, Anssi; Rissanen, Kari; Enders, Dieter researched the compound: (5aS,10bR)-2-(2,6-Diethylphenyl)-4,5a,6,10b-tetrahydro-2H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-11-ium tetrafluoroborate( cas:1787246-78-9 ).Recommanded Product: 1787246-78-9.They published the article 《Switchable Access to Different Spirocyclopentane Oxindoles by N-Heterocyclic Carbene Catalyzed Reactions of Isatin-Derived Enals and N-Sulfonyl Ketimines》 about this compound( cas:1787246-78-9 ) in Angewandte Chemie, International Edition. Keywords: spirocyclopentane oxindole preparation heterocycle carbene catalyst enal sulfonyl ketimine; N-heterocyclic carbenes; asymmetric synthesis; heterocylces; organocatalysis; spiro-compounds. We’ll tell you more about this compound (cas:1787246-78-9).

A novel NHC-catalyzed annulation protocol for the asym. synthesis of biol. important β-lactam fused spirocyclopentane oxindoles with four contiguous stereocenters, including two quaternary carbon centers, was developed. Alternatively, spirocyclopentane oxindoles containing an enaminone moiety can be achieved using the same starting materials, isatin-derived enals, and N-sulfonyl ketimines, in the presence of a slightly different NHC catalytic system. This switchable annulation strategy enables the selective assembly of both heterocyclic scaffolds with good yields and excellent enantioselectivities for a broad range of substrates.

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Safety of 1-(4-Chlorophenyl)pyrrolidin-2-one. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 1-(4-Chlorophenyl)pyrrolidin-2-one, is researched, Molecular C10H10ClNO, CAS is 7661-33-8, about Hydrogen bonding of pyrrole, indole and carbazole with substituted 1-phenyl-2-pyrrolidinones. Author is Karjalainen, J.; Virtanen, P. O. I..

The equilibrium constants (K) for the 1:1 H-bonded complexes between I (R = Me, Ph, substituted Ph) with pyrrole, indole, and carbazole were determined in CCl4 by IR. Hammett LFER were observed for each K and Δ υNH (the difference between pores and associated NH stretch). I (R = Me) is a stronger H acceptor than I (R = Ph, substituted Ph). The proton donor ability increases in the order; pyrrole < indole < carbazole. The ΔG°, ΔH°, ΔS° for the complexation are determined This literature about this compound(7661-33-8)Safety of 1-(4-Chlorophenyl)pyrrolidin-2-onehas given us a lot of inspiration, and I hope that the research on this compound(1-(4-Chlorophenyl)pyrrolidin-2-one) can be further advanced. Maybe we can get more compounds in a similar way.

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Robarge, Kirk D.; Brunton, Shirley A.; Castanedo, Georgette M.; Cui, Yong; Dina, Michael S.; Goldsmith, Richard; Gould, Stephen E.; Guichert, Oivin; Gunzner, Janet L.; Halladay, Jason; Jia, Wei; Khojasteh, Cyrus; Koehler, Michael F. T.; Kotkow, Karen; La, Hank; La Londe, Rebecca L.; Lau, Kevin; Lee, Leslie; Marshall, Derek; Marsters, James C.; Murray, Lesley J.; Qian, Changgeng; Rubin, Lee L.; Salphati, Laurent; Stanley, Mark S.; Stibbard, John H. A.; Sutherlin, Daniel P.; Ubhayaker, Savita; Wang, Shumei; Wong, Susan; Xie, Minli published an article about the compound: 3-Bromo-4-chloronitrobenzene( cas:16588-26-4,SMILESS:BrC1=C(C=CC(=C1)[N+](=O)[O-])Cl ).COA of Formula: C6H3BrClNO2. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:16588-26-4) through the article.

SAR for a wide variety of heterocyclic replacements for a benzimidazole led to the discovery of functionalized 2-pyridyl amides as novel inhibitors of the hedgehog pathway. The 2-pyridyl amides were optimized for potency, PK, and drug-like properties by modifications to the amide portion of the mol. resulting in I (GDC-0449). Amide I produced complete tumor regression at doses as low as 12.5 mg/kg BID in a medulloblastoma allograft mouse model that is wholly dependent on the Hh pathway for growth and is currently in human clin. trials, where it is initially being evaluated for the treatment of BCC.

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In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Roles played by carbene substituents during ligand transfer reactions between tungsten fischer carbene complexes and [Pt(COD)Cl2], published in 2021-12-01, which mentions a compound: 12080-32-9, mainly applied to tungsten Fischer carbene ligand transfer reaction platinum chloride; platinum biscarbene triscarbene carbene complex preparation crystal structure; mol structure platinum biscarbene triscarbene carbene complex, Formula: C8H12Cl2Pt.

Fischer carbene ligand transfer reactions from [W{C(X)(C6H4-4-R)}(CO)5] (X = OEt: a series; X = NMe2: b series), containing remote tertiary amino substituents R = R’2N at the Ph ring, to Pt(II) of [Pt(COD)Cl2] precursors, were studied. The number of carbene ligands transferred per Pt ion in these cases are determined by the electronic and steric properties of the heteroatoms of the carbene ligand. Thus, neutral bis(carbene) complexes, [Pt{C(X)(C6H4-4-R)}2Cl2], (R = H (1a); R = NR’2 and R’ = Me (2a), Ph (3a), or 4-BrC6H4 (4a)), are formed from the ethoxycarbene precursors (X = OEt), while cationic tris(carbene) complexes [Pt{C(X)(C6H4-4-R)}3Cl]+ Z-, (R = H (1b) and R = NR’2 and R’ = Me (2b), Ph (3b), or 4-BrC6H4 (4b)) were obtained from the aminocarbene precursors (X = NMe2), the latter with different counterions Z- = Cl-, [W(CO)5Cl]- or PF-6. Electro- and spectroelectrochem. studies indicate consecutive oxidations of the individual carbene ligands, but also a lack of electronic interactions across the (X)C:Pt:C(X) linkages.

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So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Lapierre, Etienne A.; Piers, Warren E.; Lin, Jian-Bin; Gendy, Chris researched the compound: Dichloro(1,5-cyclooctadiene)platinum(II)( cas:12080-32-9 ).Computed Properties of C8H12Cl2Pt.They published the article 《Synthesis and Structures of Stable PtII and PtIV Alkylidenes: Evidence for π-Bonding and Relativistic Stabilization》 about this compound( cas:12080-32-9 ) in Chemistry – A European Journal. Keywords: electrochem pi bonding platinum palladium alkylidene complex stabilization; crystal structure mol platinum palladium alkylidene complex preparation optimized; carbenes; palladium; pincer ligands; platinum; relativistic effects. We’ll tell you more about this compound (cas:12080-32-9).

Isolable cationic PtII and PtIV alkylidenes, proposed intermediates in catalytic organic transformations, are reported. The bonding in these species was probed by exptl., structural, spectroscopic, electrochem. and computational methods, providing direct evidence for π-bonding, the often-theorized relativistic stabilization of these species, and the influence of oxidation state.

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Formula: C6H3BrClNO2. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 3-Bromo-4-chloronitrobenzene, is researched, Molecular C6H3BrClNO2, CAS is 16588-26-4, about Structural basis for itraconazole-mediated NPC1 inhibition. Author is Long, Tao; Qi, Xiaofeng; Hassan, Abdirahman; Liang, Qiren; De Brabander, Jef K.; Li, Xiaochun.

Niemann-Pick C1, a lysosomal protein of 13 transmembrane helixes and three lumenal domains, exports low-d.-lipoprotein-derived cholesterol from lysosomes. TMs 3-7 of NPC1 comprise the sterol-sensing domain. Previous studies suggest that mutation of the NPC1-SSD or the addition of the anti-fungal drug itraconazole abolishes NPC1 activity in cells. However, the itraconazole binding site and the mechanism of NPC1-mediated cholesterol transport remain unknown. Here, we report a cryo-EM structure of human NPC1 bound to itraconazole, which reveals how this binding site in the center of NPC1 blocks a putative lumenal tunnel linked to the SSD. Functional assays confirm that blocking this tunnel abolishes NPC1-mediated cholesterol egress. Intriguingly, the palmitate anchor of Hedgehog occupies a similar site in the homologous tunnel of Patched, suggesting a conserved mechanism for sterol transport in this family of proteins and establishing a central function of their SSDs.

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Recommanded Product: 16588-26-4. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 3-Bromo-4-chloronitrobenzene, is researched, Molecular C6H3BrClNO2, CAS is 16588-26-4, about Inexpensive NaX (X = I, Br, Cl) as a halogen donor in the practical Ag/Cu-mediated decarboxylative halogenation of aryl carboxylic acids under aerobic conditions. Author is Fu, Zhengjiang; Jiang, Ligao; Zuo, Qianming; Li, Zhaojie; Liu, Yanzhu; Wei, Zhenhong; Cai, Hu.

A series of aryl halides RX [R = 2-O2NC6H4, 2-NO2-4-MeOC6H3, 3-chlorothiophen-2-yl, etc.; X = Cl, Br, I] was synthesized via Ag/Cu-mediated decarboxylative halogenation of aryl carboxylic acids using sodium halides as halogen donor under aerobic conditions was reported. The halodecarboxylation was shown to be an effective strategy for S-containing heteroaromatic carboxylic acid and benzoic acids with nitro, chloro and methoxyl substituents at the ortho position. A gram-scale reaction and a three-step procedure to synthesize iniparib was performed to evaluate the practicality of this protocol. A preliminary mechanistic investigation indicated that Cu plays a vital role and a radical pathway was involved in the transformation.

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1-(4-Chlorophenyl)pyrrolidin-2-one(SMILESS: O=C1N(C2=CC=C(Cl)C=C2)CCC1,cas:7661-33-8) is researched.Synthetic Route of C5H4O2. The article 《Scope and selectivity in palladium-catalyzed directed C-H bond halogenation reactions》 in relation to this compound, is published in Tetrahedron. Let’s take a look at the latest research on this compound (cas:7661-33-8).

Palladium-catalyzed ligand directed C-H activation/halogenation reactions have been extensively explored. Both the nature of the directing group and the substitution pattern on the arene ring of the substrate lead to different reactivity profiles, and often different and complementary products, in the presence and absence of the catalyst.

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