Z-Aib-Pro-Val-Aib-Aib-OMe | 172992-17-5

• 英文名称: Z-Aib-Pro-Val-Aib-Aib-OMe
• CAS: 172992-17-5
• 化学式: C₃₁H₄₇N₅O₈
• 分子量: 617.743
• InChiKey: KBTVDLFLRREZCR-VXKWHMMOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.79
• 重原子数：
  44.0
• 可旋转键数：
  12.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  172.24
• 氢给体数：
  4.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  Z-Aib-Pro-Val-Aib-Aib-OMe 在 palladium on activated charcoal 2-chloro-1,3-dimethylimidazolidium hexafluorophosphate 、 氢气 、 3-羟基-1,2,3-苯并三嗪-4(3H)-酮 作用下， 以 二氯甲烷 为溶剂， 反应 60.0h， 生成 Z-Leu-Aib-Pro-Val-Aib-Aib-OMe
  参考文献：
  名称：

  Efficient synthesis of alamethicin f-30 using a chloro imidazolidium coupling reagent, CIP

  摘要：

  Alamethicin F-30 has been synthesized in solution using a CIP-additive as a coupling agent and TFA as a final deprotecting reagent. All couplings including those between sterically hindered alpha,alpha-dimethyl amino acid were successfully achieved by a 60 min reaction.

  DOI：

  10.1016/0040-4039(95)02023-i
• 作为产物：
  描述：

  2-amino-2-methylpropionic acid methyl ester 在 palladium on activated charcoal N-羟基-7-氮杂苯并三氮唑 、 2-chloro-1,3-dimethylimidazolidium hexafluorophosphate 、 氢气 、 3-羟基-1,2,3-苯并三嗪-4(3H)-酮 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 Z-Aib-Pro-Val-Aib-Aib-OMe
  参考文献：
  名称：

  Efficient synthesis of alamethicin f-30 using a chloro imidazolidium coupling reagent, CIP

  摘要：

  Alamethicin F-30 has been synthesized in solution using a CIP-additive as a coupling agent and TFA as a final deprotecting reagent. All couplings including those between sterically hindered alpha,alpha-dimethyl amino acid were successfully achieved by a 60 min reaction.

  DOI：

  10.1016/0040-4039(95)02023-i