cis-2-methylcyclohexyl acetate | 50539-18-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: cis-2-methylcyclohexyl acetate
• 英文别名: (+/-)-cis-2-methylcyclohexanol acetate；cis-2-methylcyclohexyl ethanoate；(+/-)-cis-1-Acetoxy-2-methyl-cyclohexan；cis-2-Methylcyclohexylacetat；(+/-)-cis-<2-Methyl-cyclohexyl>-acetat；(+/-)-cis-1-acetoxy-2-methyl-cyclohexane；(+/-)-cis-2-Acetoxy-1-methyl-cyclohexan；cis-2-Methyl-cyclohexanol-(1)-acetat；cis-2-Methyl-cyclohexanol-acetat；Acetic acid (+/-)-cis-2-methyl-cyclohexyl ester；[(1R,2S)-2-methylcyclohexyl] acetate
• CAS: 50539-18-9
• 化学式: C₉H₁₆O₂
• 分子量: 156.225
• InChiKey: AKIIJALHGMKJEJ-IONNQARKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  cis-2-methylcyclohexyl acetate 生成 3-甲基-1-环己烯 、 3-甲基-1-环己烯
  参考文献：
  名称：

  MECHANISM OF THE PYROLYSIS OF ESTERS¹

  摘要：

  DOI：

  10.1021/jo01152a021
• 作为产物：
  描述：

  2-甲基环己醇 以23%的产率得到
  参考文献：
  名称：

  Naemura Koichiro, Fukuda Ritsuko, Konishi Masayoshi, Hirose Keiji, Tobe Y+, J. Chem. Soc. Perkin Trans. 1, (1994) N 10, S 1253- 1256

  摘要：

  DOI：

文献信息

• Anti-markovnikov addition of nucleophiles to a non-conjugated olefin via single electron transfer photochemistry
  作者：Paul G. Gassman、Kyle J. Bottorff

  DOI：10.1016/s0040-4039(00)96751-0

  日期：1987.1

  Nucleophilic solvent has been added regiospecifically in an anti-Markovnikov manner to a simple non-conjugated olefin, 1-methylcyclohexene, through single electron transfer induced photochemistry using the 1-cyanonaphthalene - biphenyl pair for achieving photooxidation.

  通过使用1-氰基萘-联苯对通过单电子转移诱导的光化学反应，以反马尔科夫尼科夫方式将亲核性溶剂以区域反马尔科夫尼科夫（Markovnikov）的方式添加到简单的非共轭烯烃1-甲基环己烯中，以实现光氧化作用。
• Lipase-catalyzed enantioselective acylation of alcohols: a predictive active site model for lipase YS to identify which enantiomer of an alcohol reacts faster in this acylation
  作者：Koichiro Naemura、Ritsuko Fukuda、Masaki Murata、Masayoshi Konishi、Keiji Hirose、Yoshito Tobe

  DOI：10.1016/0957-4166(95)00316-h

  日期：1995.9

  Primary alcohols having a hydroxymethyl group at an S stereogemic center and secondary alcohols with an R configuration are preferentially acylated to give the corresponding acetates by lipase YS (from Pseudomonas fluorescens)-catalyzed acylation using isopropenyl acetate as the acylating agent in diisopropyl ether. On the basis of enantiomer selectivities observed, a predictive active site model for lipase YS is proposed for identifying which enantiomer of a primary or a secondary alcohol reacts faster in this acylation.
• Pyrolysis of Esters. IX. Pyrolysis of 2-Methylcyclohexyl Acetate¹
  作者：WILLIAM J. BAILEY、LOUIS NICHOLAS

  DOI：10.1021/jo01114a008

  日期：1956.8
• Naemura, Koichiro; Fukuda, Ritsuko; Konishi, Masayoshi, Journal of the Chemical Society. Perkin transactions I, 1994, # 10, p. 1253 - 1256
  作者：Naemura, Koichiro、Fukuda, Ritsuko、Konishi, Masayoshi、Hirose, Keiji、Tobe, Yoshito

  DOI：——

  日期：——
• Enantioselective ester hydrolyses employing Rhizopus nigricans. A method of preparing and assigning the absolute stereochemistry of cyclic alcohols
  作者：Masaji Kasai、Kenichi Kawai、Mitsuru Imuta、Herman Ziffer

  DOI：10.1021/jo00178a020

  日期：1984.2