Methyl 2-benzyl-3-piperazin-1-ylsulfonylpropanoate | 147794-60-3

• 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: Methyl 2-benzyl-3-piperazin-1-ylsulfonylpropanoate
• CAS: 147794-60-3
• 化学式: C₁₅H₂₂N₂O₄S
• 分子量: 326.417
• InChiKey: XZPSHJVKASGABM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  84.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Methyl 2-benzyl-3-piperazin-1-ylsulfonylpropanoate 以 水 、 丙酮 为溶剂， 生成
  参考文献：
  名称：

  Enzyme-catalyzed synthesis of optically Pure β-sulfonamidopropionic acids. Useful starting materials for P-3 site modified renin inhibitors.

  摘要：

  The novel and efficient preparation of several racemic beta-sulfonamidopropionate esters is described. Treatment of the racemic esters with Chymotrypsin or Subtilisin Carlsberg (purified or detergent grade) provided the corresponding (S)-carboxylic acids in 60-90% yield. These acids (75 to >98 % e.e.) are useful starting materials for the synthesis of P-3 site modified renin inhibitors.

  DOI：

  10.1016/0040-4039(93)85095-e
• 作为产物：
  描述：

  (Z)-methyl 2-(bromomethyl)-3-phenylacrylate 在 镍 五氯化磷 、 氢气 、 sodium sulfite 作用下， 以 甲醇 、 水 、 甲苯 为溶剂， 生成 Methyl 2-benzyl-3-piperazin-1-ylsulfonylpropanoate
  参考文献：
  名称：

  Enzyme-catalyzed synthesis of optically Pure β-sulfonamidopropionic acids. Useful starting materials for P-3 site modified renin inhibitors.

  摘要：

  The novel and efficient preparation of several racemic beta-sulfonamidopropionate esters is described. Treatment of the racemic esters with Chymotrypsin or Subtilisin Carlsberg (purified or detergent grade) provided the corresponding (S)-carboxylic acids in 60-90% yield. These acids (75 to >98 % e.e.) are useful starting materials for the synthesis of P-3 site modified renin inhibitors.

  DOI：

  10.1016/0040-4039(93)85095-e

文献信息

• Enzyme-catalyzed synthesis of optically Pure β-sulfonamidopropionic acids. Useful starting materials for P-3 site modified renin inhibitors.
  作者：Hormoz Mazdiyasni、Donald B. Konopacki、Daniel A. Dickman、Thomas M. Zydowsky

  DOI：10.1016/0040-4039(93)85095-e

  日期：1993.1

  The novel and efficient preparation of several racemic beta-sulfonamidopropionate esters is described. Treatment of the racemic esters with Chymotrypsin or Subtilisin Carlsberg (purified or detergent grade) provided the corresponding (S)-carboxylic acids in 60-90% yield. These acids (75 to >98 % e.e.) are useful starting materials for the synthesis of P-3 site modified renin inhibitors.