(+)(S)-ethylpropylacetic acid ethyl ester | 43164-26-7

• 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: (+)(S)-ethylpropylacetic acid ethyl ester
• 英文别名: (+)(S)-Aethylpropylessigsaeure-aethylester；ethyl (2S)-2-ethylpentanoate
• CAS: 43164-26-7
• 化学式: C₉H₁₈O₂
• 分子量: 158.241
• InChiKey: DWTUXMIVGUYEQK-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• 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：

  (+)(S)-ethylpropylacetic acid ethyl ester 在 乙醇 、 sodium 、 苯 作用下， 生成 (S)-2-ethylpentan-1-ol
  参考文献：
  名称：

  Levene; Rothen; Meyer, Journal of Biological Chemistry, 1936, vol. 115, p. 409

  摘要：

  DOI：
• 作为产物：
  描述：

  Alpha-乙基戊酸 在 硫酸 、 丙酮 、 奎宁 作用下， 生成 (+)(S)-ethylpropylacetic acid ethyl ester
  参考文献：
  名称：

  Levene; Rothen; Meyer, Journal of Biological Chemistry, 1936, vol. 115, p. 409

  摘要：

  DOI：

文献信息

• METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE
  申请人：API Corporation

  公开号：US20160083341A1

  公开（公告）日：2016-03-24

  According to the present invention, it becomes possible to perform a process for converting into an α-substituted cysteine represented by general formula (1) or a salt thereof at low cost and on an industrial scale by employing a process that is routed through a compound represented by general formula (3) to a compound represented by general formula (6). Particularly, by employing a process that is routed through a compound represented by general formula (7-2), it becomes possible to detach a tert-butyl protection group in a simple manner and to produce the compound represented by general formula (1) with high purity. Furthermore, by employing a process that is routed through tert-butylthiomethanol or a process that is routed through a compound represented by general formula (9), it becomes possible to produce a compound represented by general formula (2) without generating bischloromethylether that is an oncogenic substance. In the production of an α-substituted-D-cysteine or a salt thereof, it becomes possible to perform a process for converting the compound represented by general formula (2) into a compound represented by general formula (3S) in one step by allowing an enzyme or the like to act on the compound represented by general formula (2).

  根据本发明，通过采用经由一种化合物（通式（3）表示）到一种通式（6）表示的化合物的过程，可以以低成本和工业化规模进行将其转化为通式（1）表示的α-取代半胱氨酸或其盐的过程。特别是，通过采用经由一种通式（7-2）表示的化合物的过程，可以简单地去除叔丁基保护基，并以高纯度生产通式（1）表示的化合物。此外，通过采用经由叔丁基硫代甲醇或经由一种通式（9）表示的化合物的过程，可以生产通式（2）表示的化合物，而不产生致癌物质双氯甲醚。在生产α-取代-D-半胱氨酸或其盐时，可以通过允许酶或类似物作用于通式（2）表示的化合物，一步将其转化为通式（3S）表示的化合物。
• SPATIALLY-DEFINED MACROCYCLES INCORPORATING PEPTIDE BOND SURROGATES
  申请人：Deslongchamps Pierre

  公开号：US20090312540A1

  公开（公告）日：2009-12-17

  Novel spatially-defined macrocyclic compounds incorporating peptide bond surrogates are disclosed. Libraries of these macrocycles are then used to select one or more macrocycle species that exhibit a specific interaction with a particular biological target, in particular, compounds according to the invention are disclosed as agonists or antagonists of a mammalian motilin receptor and a mammalian ghrelin receptor.
• US7550431B2
  申请人：——

  公开号：US7550431B2

  公开（公告）日：2009-06-23
• Levene; Rothen; Meyer, Journal of Biological Chemistry, 1936, vol. 115, p. 409
  作者：Levene、Rothen、Meyer

  DOI：——

  日期：——