(S)-methyl 3-amino-2-isopropylpropanoate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S)-methyl 3-amino-2-isopropylpropanoate
• 英文别名: methyl (2S)-2-(aminomethyl)-3-methylbutanoate
• 化学式: C₇H₁₅NO₂
• 分子量: 145.202
• InChiKey: JBVMBWUPOYGGFD-ZCFIWIBFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 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：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-氨基-2-异丙基丙酸甲酯 、 丁酸乙酯 在 Candida antarctica Lipase A 作用下， 以 2-甲基-2-丁醇 为溶剂， 反应 624.0h， 生成 (S)-methyl 3-amino-2-isopropylpropanoate 、 (R)-methyl 3-amino-2-isopropylpropanoate 、 methyl (2S)-2-[(butanoylamino)methyl]-3-methylbutanoate 、
  参考文献：
  名称：

  Lipase-catalysed N-acylation of β2-amino esters

  摘要：

  The Candida antarctica lipase A-catalysed N-acylation of ethyl 3-amino-2-ethylpropanoate rac-3 and methyl 3-amino-2-isopropylpropanoate rac-6 was performed with ethyl butanoate in tert-amyl alcohol at 4 degrees C. The resulting enantiomerically enriched derivatives were isolated as N-Boc-protected amino esters (R)-9 and (R)-10 and butyramides (S)-7 and (S)-8 (ee: 76-95%). (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.04.002

文献信息

• [EN] PYRAZOLE DERIVATIVES AS SGC STIMULATORS<br/>[FR] DÉRIVÉS DE PYRAZOLE UTILISÉS COMME STIMULATEURS DE SGC
  申请人：IRONWOOD PHARMACEUTICALS INC

  公开号：WO2016044447A1

  公开（公告）日：2016-03-24

  There are described imidazole and pyrazole derivatives which are useful as stimulators of sGC, particularly NO-independent, heme-dependent stimulators. These compounds are also useful for treating, preventing or managing various disorders that are herein disclosed.

  描述了咪唑和吡唑衍生物，它们可作为sGC的刺激剂，特别是NO独立、依赖血红素的刺激剂。这些化合物还可用于治疗、预防或管理本文中披露的各种疾病。
• Lipase-catalysed N-acylation of β2-amino esters
  作者：Mónika Fitz、Enikő Forró、Edina Vigóczki、László Lázár、Ferenc Fülöp

  DOI：10.1016/j.tetasy.2008.04.002

  日期：2008.5

  The Candida antarctica lipase A-catalysed N-acylation of ethyl 3-amino-2-ethylpropanoate rac-3 and methyl 3-amino-2-isopropylpropanoate rac-6 was performed with ethyl butanoate in tert-amyl alcohol at 4 degrees C. The resulting enantiomerically enriched derivatives were isolated as N-Boc-protected amino esters (R)-9 and (R)-10 and butyramides (S)-7 and (S)-8 (ee: 76-95%). (C) 2008 Elsevier Ltd. All rights reserved.