Study of syntheses and specific rotations of (S)-3-phenylhexan-3-ol and its derivatives
文献类型：期刊论文
| 作者 | Liao, Tou-Gen1; Ren, Jie1; Fan, Hua-Fang1; Xie, Ming-Jin2; Zhu, Hua-Jie1 |
| 刊名 | TETRAHEDRON-ASYMMETRY
 |
| 出版日期 | 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 |
| 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. |
入库方式： OAI收割
来源：昆明植物研究所
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