5-[N-(trichloroethoxycarbonyl)benzyloxyamino]pentanoic acid | 489452-97-3

• 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: 5-[N-(trichloroethoxycarbonyl)benzyloxyamino]pentanoic acid
• 英文别名: 5-[Phenylmethoxy(2,2,2-trichloroethoxycarbonyl)amino]pentanoic acid
• CAS: 489452-97-3
• 化学式: C₁₅H₁₈Cl₃NO₅
• 分子量: 398.671
• InChiKey: MCLMBYMQRNTXDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  76.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-[N-(trichloroethoxycarbonyl)benzyloxyamino]pentanoic acid 在 二苯基膦叠氮化物 、 三乙胺 作用下， 以 甲苯 为溶剂， 反应 14.0h， 生成 1-[4-[N-(trichloroethoxycarbonyl)benzyloxyamino]butyl]-3-[4-[N-(tert-butyloxycarbonyl)benzyloxyamino]butyl]urea
  参考文献：
  名称：

  The Preparation of a Fully Differentiated “Multiwarhead” Siderophore Precursor

  摘要：

  A protected, fully differentiated siderophore analogue has been prepared so that "Trojan Horse" -like siderophore drug conjugates with different drugs can be synthesized. The key steps in the synthesis include controlled preparation of an unsymmetrical urea and its conversion to a fully differentiated isocyanurate by reaction with chloro(carbonyl) isocyanate.

  DOI：

  10.1021/jo026391c
• 作为产物：
  描述：

  5-羟基戊酸甲酯 在 盐酸 、 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 为溶剂， 反应 24.0h， 生成 5-[N-(trichloroethoxycarbonyl)benzyloxyamino]pentanoic acid
  参考文献：
  名称：

  The Preparation of a Fully Differentiated “Multiwarhead” Siderophore Precursor

  摘要：

  A protected, fully differentiated siderophore analogue has been prepared so that "Trojan Horse" -like siderophore drug conjugates with different drugs can be synthesized. The key steps in the synthesis include controlled preparation of an unsymmetrical urea and its conversion to a fully differentiated isocyanurate by reaction with chloro(carbonyl) isocyanate.

  DOI：

  10.1021/jo026391c

文献信息

• The Preparation of a Fully Differentiated “Multiwarhead” Siderophore Precursor
  作者：Aaron P. Murray、Marvin J. Miller

  DOI：10.1021/jo026391c

  日期：2003.1.1

  A protected, fully differentiated siderophore analogue has been prepared so that "Trojan Horse" -like siderophore drug conjugates with different drugs can be synthesized. The key steps in the synthesis include controlled preparation of an unsymmetrical urea and its conversion to a fully differentiated isocyanurate by reaction with chloro(carbonyl) isocyanate.