(2S)-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoyl]amino]propanoic acid | 1197031-82-5

• 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: (2S)-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoyl]amino]propanoic acid
• CAS: 1197031-82-5
• 化学式: C₁₅H₂₉N₃O₅
• 分子量: 331.412
• InChiKey: VZFUSPBCYXFZPL-WDEREUQCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  108
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (2S)-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoyl]amino]propanoic acid 、 methyl N-amino-N-methyl-D-leucinate hydrochloride 在 1-羟基苯并三唑 、 1,2-二氯乙烷 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 以86%的产率得到tert-butyl 2-((R)-1-(((S)-1-(2-((R)-1-methoxy-4-methyl-1-oxopentan-2-yl)-2-methylhydrazineyl)-1-oxopropan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-2-methylhydrazine-1-carboxylate
  参考文献：
  名称：

  Efficient synthesis of N-Me, N-Boc-protected α-hydrazinoacids: access to 1:1:1 [N-Me α-hydrazino/α/N-Me α-hydrazino]trimers

  摘要：

  The preparation of optically pure N-alpha-Me, N-beta-Boc-protected alpha-hydrazinoacids in large scale is described via a S(N)2 protocol. These compounds were used as starting materials for the synthesis of 1: 1:1 [N-alpha-Me alpha-hydrazino/alpha/N-alpha-Me alpha-hydrazino]trimers. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.08.095
• 作为产物：
  描述：

  tert-butyl 2-((R)-1-(((S)-1-methoxy-1-oxopropan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-2-methylhydrazine-1-carboxylate 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 4.0h， 以89%的产率得到(2S)-2-[[(2R)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]pentanoyl]amino]propanoic acid
  参考文献：
  名称：

  Efficient synthesis of N-Me, N-Boc-protected α-hydrazinoacids: access to 1:1:1 [N-Me α-hydrazino/α/N-Me α-hydrazino]trimers

  摘要：

  The preparation of optically pure N-alpha-Me, N-beta-Boc-protected alpha-hydrazinoacids in large scale is described via a S(N)2 protocol. These compounds were used as starting materials for the synthesis of 1: 1:1 [N-alpha-Me alpha-hydrazino/alpha/N-alpha-Me alpha-hydrazino]trimers. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.08.095