Category: 60462-27-3

Unravelling the nature of binding of cubane and substituted cubanes within cucurbiturils: A DFT and NCI study was written by Venkataramanan, Natarajan Sathiyamoorthy; Suvitha, Ambigapathy; Kawazoe, Yoshiyuki. And the article was included in Journal of Molecular Liquids on June 15,2018.SDS of cas: 60462-27-3 The following contents are mentioned in the article:

The nature of interactions between the neutral, charged and substituted cubane, within cucurbituril host were analyzed employing the dispersion corrected d. functional theory. The structural comparison between the inclusion complexes of CB7 and CB8 shows a best fit for the CB7. The computed Gibbs free energy for the formation of inclusion complexes by the neutral guests were close to the exptl. estimate The dicationic guest within CB has the highest strain energy with least strain on the host. The conceptual DFT based anal. ECT anal. shows a charge transfer from the host to guest in neutral systems, while for the dicationic guest an electron transfer from guest to host has been noticed, which was further conformed from the quant. MESP values. The computed NICS values on the cubane, are not affected by the introduction of charge/substituents implying that cubane part act as a spacer group while the functional groups present on the cubane dictates the charge transfer. In AIM anal., the ρ value is least for the complex cubane@CB7 and highest for the cubane functionalized dicationic complex@CB complexes. The NCI-RDG anal. for the inclusion complex with dicarboxylic guest, the spike at higher d. region undergoes a shift, reflecting the increase in repulsive energy. In the inclusion complexes of CB7 the patch escalation in the NCI isosurface occurs evenly in CB7 than on the CB8 inclusion complexes, signifying the fit-induced extra stability of the CB7 inclusion complexes. EDA anal. shows that the Pauli repulsive energy increase with the increase in the size of the guest mol. and among the guest the dicationic has the highest repulsive energy. The presence of higher amount of electrostatic interactions in the dicationic complex has remunerated the dispersion contribution in the dicationic complexes. This study involved multiple reactions and reactants, such as Cubane-1,4-diyldimethanol (cas: 60462-27-3SDS of cas: 60462-27-3).

Cubane-1,4-diyldimethanol (cas: 60462-27-3) belongs to alcohols. A strong base can deprotonate an alcohol to yield an alkoxide ion (R―O−). For example, sodamide (NaNH2), a very strong base, abstracts the hydrogen atom of an alcohol. Converting an alcohol to an alkene requires removal of the hydroxyl group and a hydrogen atom on the neighbouring carbon atom. Dehydrations are most commonly carried out by warming the alcohol in the presence of a strong dehydrating acid, such as concentrated sulfuric acid.SDS of cas: 60462-27-3

60462-27-3;Cubane-1,4-diyldimethanol;The future of 60462-27-3;New trend of C10H12O2;function of 60462-27-3

Building siRNAs with Cubes: Synthesis and Evaluation of Cubane-Modified siRNAs was written by Hammill, Matthew L.; Salim, Lidya; Tsubaki, Kouta; Varley, Andrew J.; Kitamura, Mitsuru; Okauchi, Tatsuo; Desaulniers, Jean-Paul. And the article was included in ChemBioChem on October 13,2021.Safety of Cubane-1,4-diyldimethanol The following contents are mentioned in the article:

Cubane mols. hold great potential for medicinal chem. applications due to their inherent stability and low toxicity. In this study, we report the synthesis of a cubane derivative phosphoramidite for the incorporation of cubane into small interfering RNAs (siRNAs). Synthetic siRNAs rely on chem. modifications to improve their pharmacokinetic profiles. However, they are still able to mediate sequence-specific gene silencing via the endogenous RNA interference pathway. We designed a library of siRNAs bearing cubane at different positions within the sense and antisense strands. All siRNAs showed excellent gene-silencing activity, with IC50 values ranging from 45.4 to 305 pM. Incorporating the cubane modification in both the sense and antisense strand led to viable duplexes with good biol. activity. To the best of our knowledge, this is the first report of siRNAs bearing a cubane derivative within the backbone. This study involved multiple reactions and reactants, such as Cubane-1,4-diyldimethanol (cas: 60462-27-3Safety of Cubane-1,4-diyldimethanol).

Cubane-1,4-diyldimethanol (cas: 60462-27-3) belongs to alcohols. Alkyl halides are often synthesized from alcohols, in effect substituting a halogen atom for the hydroxyl group. Alcohols may be oxidized to give ketones, aldehydes, and carboxylic acids. These functional groups are useful for further reactions. Oxidation of organic compounds generally increases the number of bonds from carbon to oxygen (or another electronegative element, such as a halogen), and it may decrease the number of bonds to hydrogen.Safety of Cubane-1,4-diyldimethanol

60462-27-3;Cubane-1,4-diyldimethanol;The future of 60462-27-3;New trend of C10H12O2;function of 60462-27-3

Synthesis of 4-bromocubane-1-carboxaldehyde was written by Shastin, A. V.; Zakharov, V. V.; Bugaeva, G. P.; Eremenko, L. T.; Romanova, L. B.; Lagodzinskaya, G. V.; Aleksandrov, G. G.; Eremenko, I. L.. And the article was included in Russian Chemical Bulletin on July 31,2006.Product Details of 60462-27-3 The following contents are mentioned in the article:

Oxidation of 4-bromo-1-(hydroxymethyl)cubane and 1,4-bis(hydroxymethyl)cubane with the 2,2,6,6-tetramethylpiperidine N-oxyl-trichloroisocyanuric acid-sodium bicarbonate system afforded the corresponding aldehydes (I; Y = Br, CHO). 4-Bromocubanecarboxaldehyde was also obtained in high yield by reduction of 4-bromocubanecarboxylic acid and its Me ester with bis(N-methylpiperazinyl)aluminum hydride. This study involved multiple reactions and reactants, such as Cubane-1,4-diyldimethanol (cas: 60462-27-3Product Details of 60462-27-3).

Cubane-1,4-diyldimethanol (cas: 60462-27-3) belongs to alcohols. Alkyl halides are often synthesized from alcohols, in effect substituting a halogen atom for the hydroxyl group. Converting an alcohol to an alkene requires removal of the hydroxyl group and a hydrogen atom on the neighbouring carbon atom. Dehydrations are most commonly carried out by warming the alcohol in the presence of a strong dehydrating acid, such as concentrated sulfuric acid.Product Details of 60462-27-3

60462-27-3;Cubane-1,4-diyldimethanol;The future of 60462-27-3;New trend of C10H12O2;function of 60462-27-3

Synthesis and structures of 1,4-bis(chloromethyl)-and 1,4-bis(bromomethyl)cubanes was written by Shastin, A. V.; Romanova, L. B.; Eremenko, L. T.; Zakharov, V. V.; Lagodzinskaya, G. V.; Aleksandrov, G. G.; Eremenko, I. L.. And the article was included in Russian Chemical Bulletin on August 31,2006.Recommanded Product: Cubane-1,4-diyldimethanol The following contents are mentioned in the article:

1,4-Bis(chloromethyl)cubane (I) and 1,4-bis(bromomethyl)cubane (II) were synthesized by the reactions of triphenylphosphine with CCl4 and NBS, resp. The structures of the compounds were studied by X-ray diffraction anal. of I [monoclinic, P2(1)/c, a 6.035(12), b 7.365(17), c 11.49(3) Å, β 104.67(10)°, V 494(2) Å3, Z 2] and II [monoclinic, P2(1)/c, a 5.332(3), b 11.074(7), c 7.787(4) Å, β 105.83(4)°, V 442.3(4) Å3, Z 2]. This study involved multiple reactions and reactants, such as Cubane-1,4-diyldimethanol (cas: 60462-27-3Recommanded Product: Cubane-1,4-diyldimethanol).

Cubane-1,4-diyldimethanol (cas: 60462-27-3) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. Alcohols may be oxidized to give ketones, aldehydes, and carboxylic acids. These functional groups are useful for further reactions. Oxidation of organic compounds generally increases the number of bonds from carbon to oxygen (or another electronegative element, such as a halogen), and it may decrease the number of bonds to hydrogen.Recommanded Product: Cubane-1,4-diyldimethanol

60462-27-3;Cubane-1,4-diyldimethanol;The future of 60462-27-3;New trend of C10H12O2;function of 60462-27-3

Alkynylcubanes as Precursors of Rigid-Rod Molecules and Alkynylcyclooctatetraenes was written by Eaton, Philip E.; Galoppini, Elena; Gilardi, Richard. And the article was included in Journal of the American Chemical Society on August 24,1994.COA of Formula: C10H12O2 The following contents are mentioned in the article:

The authors have developed new methodol. for the synthesis of alkynylcubanes and have used these compounds to make rigid-rod mols. constructed of cubane and acetylene subunits. Terminal and substituted alkynylcubanes, e.g., ethynylcubane, were synthesized by n-BuLi-promoted elimination of halogen from dibromovinylcubanes, e.g., (2,2-dibromovinyl)cubane, followed by quenching with electrophiles. Systems with one or two acetylenic units between two cubanes were also prepared Dimerizations and cross-coupling reactions of various 1,4-diethynylcubanes afforded longer rods. This study involved multiple reactions and reactants, such as Cubane-1,4-diyldimethanol (cas: 60462-27-3COA of Formula: C10H12O2).

Cubane-1,4-diyldimethanol (cas: 60462-27-3) belongs to alcohols. Alcohols are weak acids. The most acidic simple alcohols (methanol and ethanol) are about as acidic as water, and most other alcohols are somewhat less acidic. A multistep synthesis may use Grignard-like reactions to form an alcohol with the desired carbon structure, followed by reactions to convert the hydroxyl group of the alcohol to the desired functionality.COA of Formula: C10H12O2

60462-27-3;Cubane-1,4-diyldimethanol;The future of 60462-27-3;New trend of C10H12O2;function of 60462-27-3

Electron in a cube: synthesis and characterization of perfluorocubane as an electron acceptor was written by Sugiyama, Masafumi; Akiyama, Midori; Yonezawa, Yuki; Komaguchi, Kenji; Higashi, Masahiro; Nozaki, Kyoko; Okazoe, Takashi. And the article was included in Science (Washington, DC, United States) on August 12,2022.Computed Properties of C10H12O2 The following contents are mentioned in the article:

The synthesis and characterization of perfluorocubane, a stable polyhedral fluorocarbon was reported. The key to the successful synthesis was the efficient introduction of multiple fluorine atoms to cubane by liquid-phase reaction with fluorine gas. The solid-state structure of perfluorocubane was confirmed using x-ray crystallog., and its electron-accepting character was corroborated electrochem. and spectroscopically. The radical anion of perfluorocubane was examined by matrix-isolation ESR spectroscopy, which revealed that the unpaired electron accepted by perfluorocubane is located predominantly inside the cage. This study involved multiple reactions and reactants, such as Cubane-1,4-diyldimethanol (cas: 60462-27-3Computed Properties of C10H12O2).

Cubane-1,4-diyldimethanol (cas: 60462-27-3) belongs to alcohols. Alcohols are weak acids. The most acidic simple alcohols (methanol and ethanol) are about as acidic as water, and most other alcohols are somewhat less acidic. Converting an alcohol to an alkene requires removal of the hydroxyl group and a hydrogen atom on the neighbouring carbon atom. Dehydrations are most commonly carried out by warming the alcohol in the presence of a strong dehydrating acid, such as concentrated sulfuric acid.Computed Properties of C10H12O2

60462-27-3;Cubane-1,4-diyldimethanol;The future of 60462-27-3;New trend of C10H12O2;function of 60462-27-3

Symmetry and dynamics of molecular rotors in amphidynamic molecular crystals was written by Karlen, Steven D.; Reyes, Horacio; Taylor, R. E.; Khan, Saeed I.; Hawthorne, M. Frederick; Garcia-Garibay, Miguel A.. And the article was included in Proceedings of the National Academy of Sciences of the United States of America on August 24,2010.Application In Synthesis of Cubane-1,4-diyldimethanol The following contents are mentioned in the article:

Rotary biomol. machines rely on highly sym. supramol. structures with rotating units that operate within a densely packed frame of reference, stator, embedded within relatively rigid membranes. The most notable examples are the enzyme FoF1 ATP synthase and the bacterial flagellum, which undergo rotation in steps determined by the symmetries of their rotators and rotating units. Speculating that a precise control of rotational dynamics in rigid environments will be essential for the development of artificial mol. machines, we analyzed the relation between rotational symmetry order and equilibrium rotational dynamics in a set of crystalline mol. gyroscopes with rotators having axial symmetry that ranges from two- to fivefold. The site exchange frequency for these mols. in their closely related crystals at ambient temperature varies by several orders of magnitude, up to ca. 4.46 × 108 s-1. This study involved multiple reactions and reactants, such as Cubane-1,4-diyldimethanol (cas: 60462-27-3Application In Synthesis of Cubane-1,4-diyldimethanol).

Cubane-1,4-diyldimethanol (cas: 60462-27-3) belongs to alcohols. A strong base can deprotonate an alcohol to yield an alkoxide ion (R―O−). For example, sodamide (NaNH2), a very strong base, abstracts the hydrogen atom of an alcohol. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.Application In Synthesis of Cubane-1,4-diyldimethanol

60462-27-3;Cubane-1,4-diyldimethanol;The future of 60462-27-3;New trend of C10H12O2;function of 60462-27-3

Synthesis of isoxazolo[60]fullerenes with dumb-bell-type structure and atropisomeric properties was written by Irngartinger, Hermann; Weber, Anton; Escher, Thomas; Fettel, Peter Walter; Gassner, Franz. And the article was included in European Journal of Organic Chemistry on September 30,1999.Category: alcohols-buliding-blocks The following contents are mentioned in the article:

Dumb-bell-type fullerene adducts were synthesized via bifunctional nitrile oxides. A cubane-bridged [60]fullerene of this type was synthesized by 2-fold esterification of cubanedimethanol with an isoxazolo[60]fullerene-carboxylate. When a bulky spacer between the fullerene units was used, atropisomers occurred. A fullerene derivative with an anthracene moiety exhibited axial chirality. This study involved multiple reactions and reactants, such as Cubane-1,4-diyldimethanol (cas: 60462-27-3Category: alcohols-buliding-blocks).

Cubane-1,4-diyldimethanol (cas: 60462-27-3) belongs to alcohols. Alcohols are among the most common organic compounds. They are used as sweeteners and in making perfumes, are valuable intermediates in the synthesis of other compounds, and are among the most abundantly produced organic chemicals in industry. A multistep synthesis may use Grignard-like reactions to form an alcohol with the desired carbon structure, followed by reactions to convert the hydroxyl group of the alcohol to the desired functionality.Category: alcohols-buliding-blocks

60462-27-3;Cubane-1,4-diyldimethanol;The future of 60462-27-3;New trend of C10H12O2;function of 60462-27-3

The preparation and fate of cubylcarbinyl radicals was written by Eaton, Philip E.; Yip, Yu Chi. And the article was included in Journal of the American Chemical Society on September 25,1991.Application of 60462-27-3 The following contents are mentioned in the article:

The cubylcarbinyl radical was generated from cubylcarbinyl bromide and from the N-hydroxy-2-pyridinethione ester of cubylacetic acid under various conditions favoring hydrogen-atom transfer to the radical. Only when selenophenol in high concentration is used as the hydrogen donor is any methylcubane formed. Otherwise the cubylcarbinyl radical rearranges. A mechanistic scheme accounting for their formation is presented; sequential σ-bond breaking occurs regioselectively, favoring processes in which there is good overlap between the radical orbital and that of the breaking bond. The rate constant for ring cleavage of cubylcarbinyl radical was calculated to be >2 × 1010 s-1, substantially greater than that of any radical derived to date from a saturated hydrocarbon system. This study involved multiple reactions and reactants, such as Cubane-1,4-diyldimethanol (cas: 60462-27-3Application of 60462-27-3).

Cubane-1,4-diyldimethanol (cas: 60462-27-3) belongs to alcohols. Alcohols are weak acids. The most acidic simple alcohols (methanol and ethanol) are about as acidic as water, and most other alcohols are somewhat less acidic. A multistep synthesis may use Grignard-like reactions to form an alcohol with the desired carbon structure, followed by reactions to convert the hydroxyl group of the alcohol to the desired functionality.Application of 60462-27-3

60462-27-3;Cubane-1,4-diyldimethanol;The future of 60462-27-3;New trend of C10H12O2;function of 60462-27-3

Approaches to 1,4-Disubstituted Cubane Derivatives as Energetic Materials: Design, Theoretical Studies and Synthesis was written by Lal, Sohan; Bhattacharjee, Argha; Chowdhury, Arindrajit; Kumbhakarna, Neeraj; Namboothiri, Irishi N. N.. And the article was included in Chemistry – An Asian Journal on September 1,2022.Computed Properties of C10H12O2 The following contents are mentioned in the article:

Novel 1,4-disubstituted cubane derivatives have been designed and selected ones have been successfully synthesized and characterized by various anal. and spectroscopic techniques, including single-crystal X-ray anal. A detailed computational study at B3LYP/6-311++G(d,p) level of theory revealed that all newly designed 1,4-disubstituted cubane derivatives possess higher densities, higher d.-specific impulse and superior ballistic properties when compared to conventional fuels, for example, RP-1. These compounds also exhibit acceptable kinetic and thermodn. stabilities which were evaluated in terms of their HOMO-LUMO energy gap and bond dissociation energies, resp., and are superior to TEX and many other compounds containing explosophoric groups. These results provide novel insights into the possible application of cubane-based energetic materials. This study involved multiple reactions and reactants, such as Cubane-1,4-diyldimethanol (cas: 60462-27-3Computed Properties of C10H12O2).

Cubane-1,4-diyldimethanol (cas: 60462-27-3) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. Secondary alcohols are easily oxidized without breaking carbon-carbon bonds only as far as the ketone stage. No further oxidation is seen except under very stringent conditions.Computed Properties of C10H12O2

60462-27-3;Cubane-1,4-diyldimethanol;The future of 60462-27-3;New trend of C10H12O2;function of 60462-27-3