Study of syntheses and specific rotations of (S)-3-phenylhexan-3-ol and its derivatives

doi:10.1016/j.tetasy.2008.02.030

CORC > 昆明植物研究所 > 中国科学院昆明植物研究所 > 植物化学与西部植物资源持续利用国家重点实验室

	Study of syntheses and specific rotations of (S)-3-phenylhexan-3-ol and its derivatives
	Liao, Tou-Gen 1; Ren, Jie 1; Fan, Hua-Fang 1; Xie, Ming-Jin 2; Zhu, Hua-Jie 1
刊名	TETRAHEDRON-ASYMMETRY
	2008-04-17
卷号	19 期号:7 页码:808-815
关键词	Density-functional Theory Ab-initio Calculation Electronic Circular-dichroism Coupled-cluster Calculations Molecular Optical Rotations Absolute-configuration Chiral Molecules Hartree-fock Esters Stereochemistry
ISSN号	0957-4166
DOI	10.1016/j.tetasy.2008.02.030
文献子类	Article
英文摘要	Tertiary alcohols.. 3-phenylhexan-3-ol and 3-methylhexane-3-ol, and their derivatives were synthesized. The reaction conditions of the esterification of the tertiary alcohol with 2-NO(2)PhCO(2)Cl and 4-NO(2)PhCO(2)Cl were optimized. The absolute configuration of the derivative from (S)-3-phenylhexan-3-ol was identified by X-ray study and computational methods. Experimental results confirmed the computational specific rotation predictions by DFT-based and matrix methods. (C) 2008 Elsevier Ltd. All rights reserved.
学科主题	Chemistry ; Inorganic & Nuclear ; Chemistry ; Organic ; Chemistry ; Physical
WOS关键词	DENSITY-FUNCTIONAL THEORY ; AB-INITIO CALCULATION ; ELECTRONIC CIRCULAR-DICHROISM ; COUPLED-CLUSTER CALCULATIONS ; MOLECULAR OPTICAL ROTATIONS ; ABSOLUTE-CONFIGURATION ; CHIRAL MOLECULES ; HARTREE-FOCK ; ESTERS ; STEREOCHEMISTRY
WOS研究方向	Chemistry
语种	英语
WOS记录号	WOS:000255989900007
公开日期	2011-11-24
内容类型	期刊论文
源URL	[http://ir.kib.ac.cn:8080/handle/151853/1855]
专题	昆明植物研究所_植物化学与西部植物资源持续利用国家重点实验室
作者单位	1.Chinese Acad Sci, Organ Synth & Nat Prod Lab, State Key Lab Phytochem & Plant Resources W China, Kunming Inst Bot, Kunming 650204, Yunnan, Peoples R China 2.Yunnan Univ, Dept Chem, Kunming 650092, Yunnan, Peoples R China
推荐引用方式 GB/T 7714	Liao, Tou-Gen,Ren, Jie,Fan, Hua-Fang,et al. Study of syntheses and specific rotations of (S)-3-phenylhexan-3-ol and its derivatives[J]. TETRAHEDRON-ASYMMETRY,2008,19(7):808-815.
APA	Liao, Tou-Gen,Ren, Jie,Fan, Hua-Fang,Xie, Ming-Jin,&Zhu, Hua-Jie.(2008).Study of syntheses and specific rotations of (S)-3-phenylhexan-3-ol and its derivatives.TETRAHEDRON-ASYMMETRY,19(7),808-815.
MLA	Liao, Tou-Gen,et al."Study of syntheses and specific rotations of (S)-3-phenylhexan-3-ol and its derivatives".TETRAHEDRON-ASYMMETRY 19.7(2008):808-815.