[(R)-2-[(R)-2-Ethoxycarbonylamino-2-((S)-1-phenyl-ethylcarbamoyl)-ethyldisulfanyl]-1-((S)-1-phenyl-ethylcarbamoyl)-ethyl]-carbamic acid ethyl ester | 448927-74-0

• 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: [(R)-2-[(R)-2-Ethoxycarbonylamino-2-((S)-1-phenyl-ethylcarbamoyl)-ethyldisulfanyl]-1-((S)-1-phenyl-ethylcarbamoyl)-ethyl]-carbamic acid ethyl ester
• CAS: 448927-74-0
• 化学式: C₂₈H₃₈N₄O₆S₂
• 分子量: 590.765
• InChiKey: RDKSHRVEOLOOFX-TZYAJKAJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.35
• 重原子数：
  40.0
• 可旋转键数：
  15.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  134.86
• 氢给体数：
  4.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  [(R)-2-[(R)-2-Ethoxycarbonylamino-2-((S)-1-phenyl-ethylcarbamoyl)-ethyldisulfanyl]-1-((S)-1-phenyl-ethylcarbamoyl)-ethyl]-carbamic acid ethyl ester 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 (R)-N2-Methyl-3-[(R)-2-methylamino-3-((S)-1-phenyl-ethylamino)-propyldisulfanyl]-N1-((S)-1-phenyl-ethyl)-propane-1,2-diamine
  参考文献：
  名称：

  Synthesis of new chiral imidazolidine disulfides derived from l-cystine and their application in the enantioselective addition of diethylzinc to aldehydes

  摘要：

  Several chiral imidazolidine disulfides 4a-d derived from L-cystine have been synthesized. These ligands have been applied as chiral catalysts in the asymmetric addition of diethylzinc to aldehydes. The best results were obtained by employing 5 mol%,, of imidazolidine disulfide 4a, and chiral secondary alcohols were obtained in up to 91% e.e. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00300-3
• 作为产物：
  描述：

  L-胱氨酸 在 N-甲基吗啉 、 sodium hydroxide 作用下， 以 氯仿 为溶剂， 生成 [(R)-2-[(R)-2-Ethoxycarbonylamino-2-((S)-1-phenyl-ethylcarbamoyl)-ethyldisulfanyl]-1-((S)-1-phenyl-ethylcarbamoyl)-ethyl]-carbamic acid ethyl ester
  参考文献：
  名称：

  Synthesis of new chiral imidazolidine disulfides derived from l-cystine and their application in the enantioselective addition of diethylzinc to aldehydes

  摘要：

  Several chiral imidazolidine disulfides 4a-d derived from L-cystine have been synthesized. These ligands have been applied as chiral catalysts in the asymmetric addition of diethylzinc to aldehydes. The best results were obtained by employing 5 mol%,, of imidazolidine disulfide 4a, and chiral secondary alcohols were obtained in up to 91% e.e. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00300-3