tert-butyl N-[(4S)-5-(benzylamino)-4-[[(1S)-1-cyano-2-phenylethyl]-[2-(4-fluorophenyl)ethylcarbamoyl]amino]-5-oxopentyl]carbamate | 1419178-33-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tert-butyl N-[(4S)-5-(benzylamino)-4-[[(1S)-1-cyano-2-phenylethyl]-[2-(4-fluorophenyl)ethylcarbamoyl]amino]-5-oxopentyl]carbamate
• CAS: 1419178-33-8
• 化学式: C₃₅H₄₂FN₅O₄
• 分子量: 615.748
• InChiKey: PDVRLUZITOXVKP-CONSDPRKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  45
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  124
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (S)-N-benzyl-5-[(tert-butoxycarbonyl)-amino]-2-[((S)-1-cyano-2-phenylethyl)amino]-pentanamide 、 4-氟苯乙基异氰酸酯 以 neat (no solvent) 为溶剂， 以91%的产率得到tert-butyl N-[(4S)-5-(benzylamino)-4-[[(1S)-1-cyano-2-phenylethyl]-[2-(4-fluorophenyl)ethylcarbamoyl]amino]-5-oxopentyl]carbamate
  参考文献：
  名称：

  Solvent-Free Synthesis of α-Amino Nitrile-Derived Ureas

  摘要：

  An efficient and environmentally friendly methodology for the solvent-free synthesis of alpha-amino nitrile derived ureas from alpha-amino acid based amino nitriles has been developed. At room temperature no epimerization was observed in the resulting ureas, but under microwave heating, epimerization occurred at the chiral center bearing the cyano group.

  DOI：

  10.1021/ol303452r

文献信息

• Solvent-Free Synthesis of α-Amino Nitrile-Derived Ureas
  作者：Pilar Ventosa-Andrés、Juan A. González-Vera、M. Teresa García-López、Rosario Herranz

  DOI：10.1021/ol303452r

  日期：2013.2.1

  An efficient and environmentally friendly methodology for the solvent-free synthesis of alpha-amino nitrile derived ureas from alpha-amino acid based amino nitriles has been developed. At room temperature no epimerization was observed in the resulting ureas, but under microwave heating, epimerization occurred at the chiral center bearing the cyano group.