(+)-(2S)-methyl-butyric acid tert-butyl ester | 59461-32-4

• 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: (+)-(2S)-methyl-butyric acid tert-butyl ester
• 英文别名: tert-butyl (2S)-2-methylbutanoate
• CAS: 59461-32-4
• 化学式: C₉H₁₈O₂
• 分子量: 158.241
• InChiKey: LPSJKZWOLKMCCA-ZETCQYMHSA-N

物化性质

• 沸点：
  153.5±8.0 °C(Predicted)
• 密度：
  0.874±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  11
• 可旋转键数：
  4
• 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

• 作为产物：
  描述：

  乙基氯化镁 、 tert-butyl (S)-2-(((trifluoromethyl)sulfonyl)oxy)propanoate 在 zinc(II) chloride 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以99%的产率得到(+)-(2S)-methyl-butyric acid tert-butyl ester
  参考文献：
  名称：

  Zinc‐Catalyzed Enantiospecific sp³–sp³ Cross‐Coupling of α‐Hydroxy Ester Triflates with Grignard Reagents

  摘要：

  DOI：

  10.1002/anie.200800733

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。
• [EN] COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT<br/>[FR] COMPOSITIONS UTILES POUR LE TRAITEMENT DE TROUBLES ASSOCIÉS À L'ENZYME KIT
  申请人：BLUEPRINT MEDICINES CORP

  公开号：WO2015057873A1

  公开（公告）日：2015-04-23

  Compounds and compositions useful for treating disorders related to mutant KIT are described herein.

  本文描述了用于治疗与突变KIT相关的疾病的化合物和组合物。
• FISCHER-TROPSCH SYNTHESIS
  申请人：SASOL TECHNOLOGY PROPRIETARY LIMITED

  公开号：US20170022423A1

  公开（公告）日：2017-01-26

  A Fischer-Tropsch synthesis process ( 10 ) includes feeding gaseous reactants ( 20 ) including at least CO, H 2 and C0 2 into a reactor ( 14 ) holding an iron-based catalyst. The H 2 and CO are fed in a H 2 :CO molar ratio of at least 2:1 and the C0 2 and CO are fed in a C0 2 :CO molar ratio of at least 0.5:1. The reactor ( 14 ) is controlled at an operating temperature in the range from about 260° C. to about 300° C. A liquid product ( 22 ) and a gaseous product ( 24 ) including hydrocarbons, CO, H 2 , water and C0 2 are withdrawn from the reactor ( 14 ).
• US9783739B2
  申请人：——

  公开号：US9783739B2

  公开（公告）日：2017-10-10
• Zinc‐Catalyzed Enantiospecific sp³–sp³ Cross‐Coupling of α‐Hydroxy Ester Triflates with Grignard Reagents
  作者：Christopher Studte、Bernhard Breit

  DOI：10.1002/anie.200800733

  日期：2008.7.7