| 691015-07-3

• 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
• CAS: 691015-07-3
• 化学式: C₂₃H₂₆Cl₂N₂O₉
• 分子量: 545.373
• InChiKey: SSICCRFGPAAOPG-IAGOWNOFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.93
• 重原子数：
  36.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  163.65
• 氢给体数：
  5.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  BOC-L-4-氯苯丙氨酸 、 碘甲烷 、 生成 、 、 、
  参考文献：
  名称：

  Complestatin synthetic studies

  摘要：

  The synthesis and structural analysis, involving X-ray crystallographic, nuclear magnetic resonance, and computational studies of four diastereomers of the common western BCD diarylether macrocycle of the complestatins, a family of HIV entry inhibitors, has been achieved exploiting a ruthenium-promoted intramolecular SNAr reaction. The stereogenicity of the individual phenylglycines (residues C and D) results in remarkable effects on the backbone conformation. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.056
• 作为产物：
  描述：

  (R)-[(R)-2-tert-Butoxycarbonylamino-2-(3,5-dihydroxy-4-methoxy-phenyl)-acetylamino]-(3,5-dichloro-4-methoxy-phenyl)-acetic acid benzyl ester 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 以99%的产率得到
  参考文献：
  名称：

  Complestatin synthetic studies

  摘要：

  The synthesis and structural analysis, involving X-ray crystallographic, nuclear magnetic resonance, and computational studies of four diastereomers of the common western BCD diarylether macrocycle of the complestatins, a family of HIV entry inhibitors, has been achieved exploiting a ruthenium-promoted intramolecular SNAr reaction. The stereogenicity of the individual phenylglycines (residues C and D) results in remarkable effects on the backbone conformation. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.056