2-(1-Hydroxy-cyclododecyl)-propionic acid ethyl ester | 178804-27-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-(1-Hydroxy-cyclododecyl)-propionic acid ethyl ester
• 英文别名: ethyl 2-(1-hydroxycyclododecyl)propanoate
• CAS: 178804-27-8
• 化学式: C₁₇H₃₂O₃
• 分子量: 284.439
• InChiKey: CKFGZOFWDDITTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(1-Hydroxy-cyclododecyl)-propionic acid ethyl ester 在 盐酸 作用下， 以 水 为溶剂， 生成 2-环十二烷基-1-丙醇
  参考文献：
  名称：

  PREPARATION OF AN INTERMEDIATE IN THE SYNTHESIS OF 2-CYCLODODECYL-1-PROPANOL

  摘要：

  A method for preparing a tertiary alcohol having a formula (I) The method includes reacting cyclododecanone with an acrylate having a formula RO—CO—CH═CH 2 in a reductive aldol reaction under a metal catalysis. R in the formula (I) is a straight-chain C 1 -C 8 -alkyl, a branched C 1 -C 8 -alkyl, a straight-chain alkenyl group, a branched alkenyl group, an unsubstituted phenyl group, or a substituted phenyl group.

  公开号：

  US20240262780A1
• 作为产物：
  描述：

  丙烯酸乙酯 、 环十二酮 在 copper(II) acetate monohydrate 、 4-甲氧基苯酚 、 三苯基膦 作用下， 以 甲苯 为溶剂， 生成 2-(1-Hydroxy-cyclododecyl)-propionic acid ethyl ester
  参考文献：
  名称：

  PREPARATION OF AN INTERMEDIATE IN THE SYNTHESIS OF 2-CYCLODODECYL-1-PROPANOL

  摘要：

  A method for preparing a tertiary alcohol having a formula (I) The method includes reacting cyclododecanone with an acrylate having a formula RO—CO—CH═CH 2 in a reductive aldol reaction under a metal catalysis. R in the formula (I) is a straight-chain C 1 -C 8 -alkyl, a branched C 1 -C 8 -alkyl, a straight-chain alkenyl group, a branched alkenyl group, an unsubstituted phenyl group, or a substituted phenyl group.

  公开号：

  US20240262780A1

文献信息

• Regio- and Stereoselectivity of Water Elimination as a Function of Ring Size
  作者：Björn Greve、Peter Imming

  DOI：10.1021/jo970989g

  日期：1997.11.1

  The elimination of water from tertiary alcohols was studied for carbocycles of ring size 5-16. The resulting olefins 3-5 were discriminated by NMR spectroscopy. The relative amount of their formation reflects the steric idiosyncrasies of the respective ring systems. The behavior of the medium-sized rings yielded experimental proof to the I-strain concept.

  对于环号为5-16的碳环化合物，研究了从叔醇中消除水的方法。所得烯烃3-5通过NMR光谱鉴别。它们形成的相对量反映了各个环系统的空间特质。中型环的行为为I应变概念提供了实验证明。
• Greve, Bjoern; Imming, Peter; Laufer, Stefan, Angewandte Chemie, 1996, vol. 108, # 11, p. 1312 - 1314
  作者：Greve, Bjoern、Imming, Peter、Laufer, Stefan

  DOI：——

  日期：——