(S)-1-cyclohexylethyl butyrate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (S)-1-cyclohexylethyl butyrate
• 英文别名: [(1S)-1-cyclohexylethyl] butanoate
• 化学式: C₁₂H₂₂O₂
• 分子量: 198.305
• InChiKey: FTMSYMOBBRINAR-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  5
• 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
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (4-氯苯基)丁酸酯 、 1-环己基乙醇 在 (η⁵-indanyl)RuCl(PPh3)2 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 72.0h， 以80%的产率得到(S)-1-cyclohexylethyl butyrate
  参考文献：
  名称：

  [EN] METHOD OF PREPARATION OF OPTICALLY ACTIVE ALCOHOLS
  [FR] PROCEDE D'ELABORATION D'ALCOOLS OPTIQUEMENT ACTIFS

  摘要：

  本发明涉及一种制备具有光学活性的手性醇的方法。更具体地说，本发明涉及一种通过将非手性底物（如消旋醇或酮）与金属催化剂和蛋白水解酶混合，进行动力学分辨反应，从而高产率、高光学纯度地制备(S)-手性醇的方法。

  公开号：

  WO2005009935A1

文献信息

• CYCLOHEXYLETHYL CARBOXYLIC ACID ESTER COMPOSITIONS AND METHOD FOR USING THE SAME FOR REDUCING MALODORS
  申请人：Payne Richard K.

  公开号：US20110014142A1

  公开（公告）日：2011-01-20

  The present invention pertains to a method of counteracting a malodor by introducing a malodor counteracting effective amount of an enantiomeric compound selected from the group consisting of (1R)-1-cyclohexylethyl butyrate and (1S)-1-cyclohexylethyl acetate.

  本发明涉及一种通过引入从（1R）-1-环己基乙酸丁酯和（1S）-1-环己基乙酸乙酯组成的对手性化合物的恶臭对抗有效量来对抗恶臭的方法。
• Cyclohexylethyl carboxylic acid ester compositions and method for using the same for reducing malodors
  申请人：International Flavors & Fragrances Inc.

  公开号：EP2281581A1

  公开（公告）日：2011-02-09

  The present invention pertains to a method of counteracting a malodor by introducing a malodor counteracting effective amount of an enantiomeric compound selected from the group consisting of (1R)-1-cyclohexylethyl butyrate and (1S)-1-cyclohexylethyl acetate.

  本发明涉及一种对抗恶臭的方法，即引入对抗恶臭有效量的对映体化合物，该对映体化合物选自(1R)-1-环己基乙醇丁酸酯和(1S)-1-环己基乙醇乙酸酯组成的组。
• Method of using cyclohexylethyl carboxylic acid esters for reducing malodors
  申请人：International Flavors & Fragrances Inc.

  公开号：EP2281581B1

  公开（公告）日：2013-04-17
• (<i>S</i>)-Selective Dynamic Kinetic Resolution of Secondary Alcohols by the Combination of Subtilisin and an Aminocyclopentadienylruthenium Complex as the Catalysts
  作者：Mahn-Joo Kim、Yong Il Chung、Yoon Kyung Choi、Han Ki Lee、Daeho Kim、Jaiwook Park

  DOI：10.1021/ja036766r

  日期：2003.9.1

  A new procedure for the dynamic kinetic resolution (DKR) of racemic alcohols into single enantiomers is described. This procedure employs surfactant-treated subtilisin as an (S)-selective resolving catalyst and an aminocyclopentadienylruthenium complex as a racemizing catalyst. The DKR is performed best in the presence of an acyl donor such as trifluoroethyl butyrate in THF at room temperature. Eight simple secondary alcohols have been efficiently resolved with high optical purities and good yields. The subtilisin-based DKR is complementary in stereoselectivity to its lipase-based counterpart. For an acyl-carrying alcohol, both subtilisin- and lipase-based DKRs have proceeded equally well to give a pair of enantiomeric products (>99.5% ee each) with opposite optical rotations in high yields (94-95%).
• US7993633B2
  申请人：——

  公开号：US7993633B2

  公开（公告）日：2011-08-09