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Page 1
Theoretical investigation of Co(0)-catalyzed intramolecular hydroacylation of 4-pentenal.
Meng Q, Wang F, Li M. Meng Q, et al. J Mol Model. 2013 Jun;19(6):2225-34. doi: 10.1007/s00894-013-1772-5. Epub 2013 Jan 31. J Mol Model. 2013. PMID: 23370790
Density functional theory (DFT) was used to investigate cobalt(0)-catalyzed intramolecular hydroacylation of 4-pentenal. The calculated results indicated the involvement of five possible reaction pathways: the formation of cyclopentanone, cyclobutanone, butylenes, c …
Density functional theory (DFT) was used to investigate cobalt(0)-catalyzed intramolecular hydroacylation of 4-pentenal. The c …
Discrimination of genetic and geographical groups of grape varieties (Vitis vinifera L.) based on their volatile organic compounds.
Šikuten I, Štambuk P, Tomaz I, Marchal C, Kontić JK, Lacombe T, Maletić E, Preiner D. Šikuten I, et al. Front Plant Sci. 2022 Oct 20;13:942148. doi: 10.3389/fpls.2022.942148. eCollection 2022. Front Plant Sci. 2022. PMID: 36340348 Free PMC article.
Some of the individual compounds contributing to the discrimination were found in relatively small amounts, such as benzoic acid, (E,E)-2,4-hexadienal, 4-pentenal, and nonanoic acid. The groups were also discriminated by their overall volatile profile: group C2 was …
Some of the individual compounds contributing to the discrimination were found in relatively small amounts, such as benzoic acid, (E,E)-2,4- …
Enantioselective hydroacylation of olefins with rhodium catalysts.
Murphy SK, Dong VM. Murphy SK, et al. Chem Commun (Camb). 2014 Nov 18;50(89):13645-9. doi: 10.1039/c4cc02276a. Chem Commun (Camb). 2014. PMID: 25277153 Free PMC article.
This viewpoint highlights the advances in this area, including 4-pentenal cyclisations, medium-ring syntheses, and intermolecular variants....
This viewpoint highlights the advances in this area, including 4-pentenal cyclisations, medium-ring syntheses, and intermolecu …
UV photolysis of α-cyclohexanedione in the gas phase.
Mukhopadhyay A, Mukherjee M, Ghosh AK, Chakraborty T. Mukhopadhyay A, et al. J Phys Chem A. 2011 Jul 7;115(26):7494-502. doi: 10.1021/jp201110p. Epub 2011 Jun 13. J Phys Chem A. 2011. PMID: 21627135
The identified products are cyclopentanone, carbon monoxide, ketene, ethylene, and 4-pentenal. Geometry optimization at the CIS/6-311++G** level predicts that the carbonyl group is pyramidally distorted in the excited S(1) and S(2) states, but the alpha-CHD ring doe …
The identified products are cyclopentanone, carbon monoxide, ketene, ethylene, and 4-pentenal. Geometry optimization at the CI …
Chemistry and stereochemistry of the interaction of the water-soluble phosphine [HO(CH2)3]3P with cinnamaldehyde in aqueous media.
Moiseev DV, James BR, Hu TQ. Moiseev DV, et al. Inorg Chem. 2007 May 28;46(11):4704-12. doi: 10.1021/ic0701559. Epub 2007 Apr 14. Inorg Chem. 2007. PMID: 17432851
Self-condensation of the aldehyde into two isomeric products, 2-benzyl-5-phenyl-pent-2,4-dienal and 5-phenyl-2-(phenylmethylene)-4-pentenal, is observed; this implies initial nucleophilic attack of the phosphine at the beta-carbon of the alpha,beta-unsaturated aldeh …
Self-condensation of the aldehyde into two isomeric products, 2-benzyl-5-phenyl-pent-2,4-dienal and 5-phenyl-2-(phenylmethylene)-4- …
High-Dimensional Neural Network Potentials for Organic Reactions and an Improved Training Algorithm.
Gastegger M, Marquetand P. Gastegger M, et al. J Chem Theory Comput. 2015 May 12;11(5):2187-98. doi: 10.1021/acs.jctc.5b00211. Epub 2015 Apr 28. J Chem Theory Comput. 2015. PMID: 26574419
While HDNNs have been mostly used to model solid state systems and surface interactions, we present here the first application of the HDNN approach to an organic reaction, the Claisen rearrangement of allyl vinyl ether to 4-pentenal. To construct the corresponding H …
While HDNNs have been mostly used to model solid state systems and surface interactions, we present here the first application of the HDNN a …
Catalyzed olefin isomerization leading to highly stereoselective Claisen rearrangements of aliphatic allyl vinyl ethers.
Nelson SG, Bungard CJ, Wang K. Nelson SG, et al. J Am Chem Soc. 2003 Oct 29;125(43):13000-1. doi: 10.1021/ja037655v. J Am Chem Soc. 2003. PMID: 14570453
Catalyzed alkene isomerization affords allyl vinyl ethers from easily prepared di(allyl) ethers; direct thermolysis of these reaction mixtures leads to highly diastereoselective [3,3] sigmatropic rearrangements affording syn-2,3-dialkyl-4-pentenal derivatives. An ea …
Catalyzed alkene isomerization affords allyl vinyl ethers from easily prepared di(allyl) ethers; direct thermolysis of these reaction mixtur …
22 results