(R)-1-cyclohexylpentyl acetate | 1197170-98-1

• 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: (R)-1-cyclohexylpentyl acetate
• CAS: 1197170-98-1
• 化学式: C₁₃H₂₄O₂
• 分子量: 212.332
• InChiKey: RHSMGVPNMFDIJI-CYBMUJFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.69
• 重原子数：
  15.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (R)-1-cyclohexylpentyl acetate 在 水 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 (R)-(+)-1-cyclohexylpentanol
  参考文献：
  名称：

  Empirical method for predicting enantioselectivity in catalytic reactions: demonstration with lipase and oxazaborolidine

  摘要：

  We derived a novel equation capable of predicting the degree of enantioselectivity in a catalytic reaction without any knowledge of the reaction mechanism and/or the transition-state structure. and tested the validity of this equation by changing substrates systematically in the lipase or oxazaborolidine-catalyzed reactions A good correlation was observed between the predicted and observed E values, and the stereochemistry of the products Could be predicted correctly in most cases (28 out of 30) (C) 2009 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.tet.2009.09.058
• 作为产物：
  描述：

  乙酸乙烯酯 、 1-环己基-1-戊醇 在 Burkholderia cepacia lipase 作用下， 以 异丙醇 为溶剂， 反应 17.5h， 生成 、 (R)-1-cyclohexylpentyl acetate 、 (S)-1-cyclohexyl-1-pentanol 、 (R)-(+)-1-cyclohexylpentanol
  参考文献：
  名称：

  Empirical method for predicting enantioselectivity in catalytic reactions: demonstration with lipase and oxazaborolidine

  摘要：

  We derived a novel equation capable of predicting the degree of enantioselectivity in a catalytic reaction without any knowledge of the reaction mechanism and/or the transition-state structure. and tested the validity of this equation by changing substrates systematically in the lipase or oxazaborolidine-catalyzed reactions A good correlation was observed between the predicted and observed E values, and the stereochemistry of the products Could be predicted correctly in most cases (28 out of 30) (C) 2009 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.tet.2009.09.058