5-cyclohexyl-valeric acid ethyl ester | 17851-39-7

• 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: 5-cyclohexyl-valeric acid ethyl ester
• 英文别名: 5-Cyclohexyl-valeriansaeure-aethylester；Ethyl 5-cyclohexylpentanoate
• CAS: 17851-39-7
• 化学式: C₁₃H₂₄O₂
• 分子量: 212.332
• InChiKey: AVFILKYXRCONBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  15
• 可旋转键数：
  7
• 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

• 作为反应物：
  描述：

  5-cyclohexyl-valeric acid ethyl ester 在 乙醇 、 sodium 作用下， 生成 5-环己基戊烷-1-醇
  参考文献：
  名称：

  Katznelsson; Dubinin, Doklady Akademii Nauk SSSR, 1936, vol. 13, p. 405,407

  摘要：

  DOI：
• 作为产物：
  描述：

  (2E,4E)-5-苯基-2,4-戊二烯酸 在 乙醇 、 硫酸 、 镍 、 溶剂黄146 、 铂 作用下， 210.0 ℃ 、11.77 MPa 条件下， 生成 5-cyclohexyl-valeric acid ethyl ester
  参考文献：
  名称：

  3-（3-环己基丙基）-4-喹啉醇的合成。

  摘要：

  DOI：

  10.1021/ja01211a047

文献信息

• Coupling Reaction of Alkenes with α-Bromo Carboxylic Acid Derivatives Using Nickel Boride and Borohydride Exchange Resin in Methanol
  作者：Meyoung Ju Joung、Jin Hee Ahn、Dong Won Lee、Nung Min Yoon

  DOI：10.1021/jo972019z

  日期：1998.4.1
• 2-Azetidinone Cholesterol Absorption Inhibitors:  Structure−Activity Relationships on the Heterocyclic Nucleus
  作者：John W. Clader、Duane A. Burnett、Mary Ann Caplen、Martin S. Domalski、Sundeep Dugar、Wayne Vaccaro、Rosy Sher、Margaret E. Browne、Hongrong Zhao、Robert E. Burrier、Brian Salisbury、Harry R. Davis

  DOI：10.1021/jm960405n

  日期：1996.1.1

  A series of azetidinone cholesterol absorption inhibitors related to SCH 48461 ((-)-6) has been prepared, and compounds were evaluated for their ability to inhibit hepatic cholesteryl ester formation in a cholesterol-fed hamster model. Although originally designed as acyl CoA: cholesterol acyltransferase (ACAT) inhibitors, comparison of in vivo potency with in vitro activity in a microsomal ACAT assay indicates no correlation between activity in these two models. The molecular mechanism by which these compounds inhibit cholesterol absorption is unknown. Despite this limitation, examination of the in vivo activity of a range of compounds has revealed clear structure-activity relationships consistent with a well-defined molecular target. The details of these structure-activity relationships and their implications on the nature of the putative pharmacophore are discussed.
• Cousseau,J.; Lamant,M., Bulletin de la Societe Chimique de France, 1967, p. 4702 - 4707
  作者：Cousseau,J.、Lamant,M.

  DOI：——

  日期：——
• The Synthesis of 3-(3-Cyclohexylpropyl)-4-quinolinol¹
  作者：Robert H. Baker、R. M. Dodson

  DOI：10.1021/ja01211a047

  日期：1946.7
• Katznelsson; Dubinin, Doklady Akademii Nauk SSSR, 1936, vol. 13, p. 405,407
  作者：Katznelsson、Dubinin

  DOI：——

  日期：——