(+)(S)-2-Ethyl-isovaleriansaeuremethylester | 32444-33-0

• 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)-2-Ethyl-isovaleriansaeuremethylester
• 英文别名: methyl (2S)-2-ethyl-3-methylbutanoate
• CAS: 32444-33-0
• 化学式: C₈H₁₆O₂
• 分子量: 144.214
• InChiKey: DZSHJVHEBKGUGV-ZETCQYMHSA-N

物化性质

• 沸点：
  146-147 °C(Press: 741 Torr)
• 密度：
  0.874±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 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：

  2-乙基-3-甲基丁酸 以 乙醚 为溶剂， 生成 (+)(S)-2-Ethyl-isovaleriansaeuremethylester
  参考文献：
  名称：

  Tortorella,V., Gazzetta Chimica Italiana, 1962, vol. 92, p. 271 - 286

  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。
• Phthalazinone Derivatives
  申请人：Martin Niall Morrison Barr

  公开号：US20120010204A1

  公开（公告）日：2012-01-12

  Compounds of the formula (I): wherein A and B together represent an optionally substituted, fused aromatic ring; X can be NR X or CR X R Y ; if X═NR X then n is 1 or 2 and if X═CR X R Y then n is 1; R X is selected from the group consisting of H, optionally substituted C 1-20 alkyl, C 5-20 aryl, C 3-20 heterocyclyl, amido, thioamido, ester, acyl, and sulfonyl groups; R Y is selected from H, hydroxy, amino; or R X and R Y may together form a spiro-C 3-7 cycloalkyl or heterocyclyl group; R C1 and R C2 are both hydrogen, or when X is CR X R Y , R C1 , R C2 , R X and R Y , together with the carbon atoms to which they are attached, may form an optionally substituted fused aromatic ring; and R 1 is selected from H and halo.

  式(I)的化合物，其中A和B在一起表示一个可选择取代的融合芳香环；X可以是NRX或CRXRY；如果X═NRX，则n为1或2，如果X═CRXRY，则n为1；RX从以下组中选择：H，可选择取代的C1-20烷基，C5-20芳基，C3-20杂环基，酰胺，硫酰胺，酯，酰基和磺酰基；RY从H，羟基，氨基中选择；或者RX和RY可以一起形成一个螺环C3-7环烷基或杂环基；RC1和RC2都是氢，或者当X是CRXRY时，RC1，RC2，RX和RY与它们连接的碳原子一起可以形成一个可选择取代的融合芳香环；R1从H和卤素中选择。
• PHTHALAZINONE DERIVATIVES
  申请人：KUDOS PHARMACEUTICALS LIMITED

  公开号：US20170226124A1

  公开（公告）日：2017-08-10

  Compounds of the formula (I): wherein A and B together represent an optionally substituted, fused aromatic ring; X can be NR X or CR X R Y ; if X=NR X then n is 1 or 2 and if X=CR X R Y then n is 1; R X is selected from the group consisting of H, optionally substituted C 1-20 alkyl, C 5-20 aryl, C 3-20 heterocyclyl, amido, thioamido, ester, acyl, and sulfonyl groups; R Y is selected from H, hydroxy, amino; or R X and R Y may together form a spiro-C 3-7 cycloalkyl or heterocyclyl group; R C1 and R C2 are both hydrogen, or when X is CR X R Y , R C1 , R C2 , R X and R Y , together with the carbon atoms to which they are attached, may form an optionally substituted fused aromatic ring; and R 1 is selected from H and halo.
• US7705146B2
  申请人：——

  公开号：US7705146B2

  公开（公告）日：2010-04-27
• US8912187B2
  申请人：——

  公开号：US8912187B2

  公开（公告）日：2014-12-16