L-N-<2-(trimethylsilyl)ethylsulfonyl>alanine | 226212-95-9

• 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: L-N-<2-(trimethylsilyl)ethylsulfonyl>alanine
• CAS: 226212-95-9
• 化学式: C₈H₁₉NO₄SSi
• 分子量: 253.395
• InChiKey: WSLVUXHLWPINTE-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.72
• 重原子数：
  15.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  83.47
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  L-N-<2-(trimethylsilyl)ethylsulfonyl>alanine 在 三乙胺 、 N,N'-二环己基碳二亚胺 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 45.5h， 生成 1-methyl-3-methyl-4-N-(2-trimethylsilyl)ethylsulfonyl-5-tert-butyloxycarbonylaminomethyl-perhydro-(1,4)-diazepin-2-one
  参考文献：
  名称：

  Synthesis of perhydrodiazepinones as new putative peptidomimetics

  摘要：

  New functionalized 7-membered azaheterocycles (perhydrodiazepinones) have been designed as new scaffolds supposed to mimick peptide gamma-turns constrained by an ethylene bridge. They were synthesized by either lactam cyclisation on an aminoacid compound outcoming from a glutamic acid derivative starting material or through an intramolecular Mitsunobu reaction on diaminoalcohol linear precursors. Furthermore, as a new strategy useful for combinatorial chemistry, the second synthesis has been investigated on a soluble polymer support(PEG). (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00130-1
• 作为产物：
  描述：

  L-丙氨酸 、 2-(三甲基硅基)乙烷磺酰氯 在 三甲基氯硅烷 、 三乙胺 作用下， 生成 L-N-<2-(trimethylsilyl)ethylsulfonyl>alanine
  参考文献：
  名称：

  Synthesis of perhydrodiazepinones as new putative peptidomimetics

  摘要：

  New functionalized 7-membered azaheterocycles (perhydrodiazepinones) have been designed as new scaffolds supposed to mimick peptide gamma-turns constrained by an ethylene bridge. They were synthesized by either lactam cyclisation on an aminoacid compound outcoming from a glutamic acid derivative starting material or through an intramolecular Mitsunobu reaction on diaminoalcohol linear precursors. Furthermore, as a new strategy useful for combinatorial chemistry, the second synthesis has been investigated on a soluble polymer support(PEG). (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00130-1