[(3-Benzothiazol-2-yl-ureido)-(3-nitro-phenyl)-methyl]-phosphonic acid diphenyl ester

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: [(3-Benzothiazol-2-yl-ureido)-(3-nitro-phenyl)-methyl]-phosphonic acid diphenyl ester
• 英文别名: 1-(1,3-Benzothiazol-2-yl)-3-[diphenoxyphosphoryl-(3-nitrophenyl)methyl]urea
• 化学式: C₂₇H₂₁N₄O₆PS
• 分子量: 560.527
• InChiKey: AHOLPHQUMLUPPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  164
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  Phosphonic acid, [amino(3-nitrophenyl)methyl]-, diphenyl ester 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.5h， 生成 [(3-Benzothiazol-2-yl-ureido)-(3-nitro-phenyl)-methyl]-phosphonic acid diphenyl ester
  参考文献：
  名称：

  NEW AND EFFECTIVE SYNTHESIS OF UNSYMMETRICAL α-UREIDOALKYLPHOSPHONATES

  摘要：

  An efficient synthesis of substituted alpha-ureidoalkylphosphonates 3 was reported. The method involves the conversion of alpha-aminoalkylphosphonates 1 to alpha-isocyanatoalkylphosphonates 2 by treating with triphosgene and followed by addition of substituted amine to 2. A new kind of cyclic alpha-ureidoalkylphosphonates 5 was also obtained by treating 2 with o-aminobenzoic acid. followed by intramolecular cyclization of intermediate 4.

  DOI：

  10.1080/10426500008043670

文献信息

• NEW AND EFFECTIVE SYNTHESIS OF UNSYMMETRICAL α-UREIDOALKYLPHOSPHONATES
  作者：Zai-Guo Li、Qing-Min Wang、Run-Qiu Huang、Jun-Ran Cheng、Jun-An Ma

  DOI：10.1080/10426500008043670

  日期：2000.5.1

  An efficient synthesis of substituted alpha-ureidoalkylphosphonates 3 was reported. The method involves the conversion of alpha-aminoalkylphosphonates 1 to alpha-isocyanatoalkylphosphonates 2 by treating with triphosgene and followed by addition of substituted amine to 2. A new kind of cyclic alpha-ureidoalkylphosphonates 5 was also obtained by treating 2 with o-aminobenzoic acid. followed by intramolecular cyclization of intermediate 4.