(R)-methyl 2-chloro-4-methylpentanoate | 114438-67-4

• 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: (R)-methyl 2-chloro-4-methylpentanoate
• 英文别名: Methyl (R)-2-chloro-4-methylpentanoate；methyl (2R)-2-chloro-4-methylpentanoate
• CAS: 114438-67-4
• 化学式: C₇H₁₃ClO₂
• 分子量: 164.632
• InChiKey: YYGYFVZQCDLIFY-ZCFIWIBFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 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：

  (R)-methyl 2-chloro-4-methylpentanoate 在 N-甲基咪唑 、 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 lithium hydroxide monohydrate 、 水 、 potassium acetate 、 sodium hydride 、 N,N,N',N'-tetramethylchloroformamidinium hexafluorophosphate 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 9.0h， 生成
  参考文献：
  名称：

  HETEROCYCLIC ANTIVIRAL AGENTS

  摘要：

  The present invention discloses compounds of Formula (I), and pharmaceutically acceptable salts, thereof: which inhibit coronavirus replication activity. The invention further relates to pharmaceutical compositions comprising a compound of Formula (I) or a pharmaceutically acceptable salt thereof, and methods of treating or preventing a coronavirus infection in a subject in need thereof, comprising administering to the subject a therapeutically effective amount of a compound of Formula (I) or a pharmaceutically acceptable salt thereof.

  公开号：

  US20230174542A1
• 作为产物：
  描述：

  (E)-methyl 2-chloro-4-methylpent-2-enoate 在 葡萄糖 、 recombinant GDH 、 recombinant old yellow enzyme 3 、 烟酰胺腺嘌呤双核苷酸磷酸盐 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 (S)-methyl 2-chloro-4-methylpentanoate 、 (R)-methyl 2-chloro-4-methylpentanoate
  参考文献：
  名称：

  Enantioselective CC bond reduction of unsaturated α-chloro esters by old yellow enzymes

  摘要：

  The reduction of the C=Cdouble bond of some unsaturated alpha-chloro esters was investigated by means of cloned and overexpressed enoate reductases. The results were compared with those obtained by employing baker's yeast whole cells. The anti stereochemistry of hydrogen additions was confirmed by deuterium labeling experiments. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcatb.2011.07.008

文献信息

• Asymmetric reduction of the prochiral carbon-carbon double bond of methyl 2-chloro-2-alkenoates by use of fermenting bakers' yeast
  作者：Masanori Utaka、Satoshi Konishi、Ami Mizuoka、Toshiyasu Ohkubo、Takashi Sakai、Sadao Tsuboi、Akira Takeda

  DOI：10.1021/jo00282a007

  日期：1989.10
• UTAKA, MASANORI;KONISHI, SATOSHI;MIZUOKA, AMI;OHKUBO, TOSHIYASU;SAKAI, TA+, J. ORG. CHEM., 54,(1989) N1, C. 4989-4992
  作者：UTAKA, MASANORI、KONISHI, SATOSHI、MIZUOKA, AMI、OHKUBO, TOSHIYASU、SAKAI, TA+

  DOI：——

  日期：——
• Enantioselective CC bond reduction of unsaturated α-chloro esters by old yellow enzymes
  作者：Elisabetta Brenna、Giovanni Fronza、Claudio Fuganti、Daniela Monti、Fabio Parmeggiani

  DOI：10.1016/j.molcatb.2011.07.008

  日期：2011.7

  The reduction of the C=Cdouble bond of some unsaturated alpha-chloro esters was investigated by means of cloned and overexpressed enoate reductases. The results were compared with those obtained by employing baker's yeast whole cells. The anti stereochemistry of hydrogen additions was confirmed by deuterium labeling experiments. (C) 2011 Elsevier B.V. All rights reserved.
• HETEROCYCLIC ANTIVIRAL AGENTS
  申请人：ENANTA PHARMACEUTICALS, INC.

  公开号：US20230174542A1

  公开（公告）日：2023-06-08

  The present invention discloses compounds of Formula (I), and pharmaceutically acceptable salts, thereof: which inhibit coronavirus replication activity. The invention further relates to pharmaceutical compositions comprising a compound of Formula (I) or a pharmaceutically acceptable salt thereof, and methods of treating or preventing a coronavirus infection in a subject in need thereof, comprising administering to the subject a therapeutically effective amount of a compound of Formula (I) or a pharmaceutically acceptable salt thereof.