1-(2,3,4-trihydroxybutyl)-1,4,7,10-tetraazacyclododecane

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-(2,3,4-trihydroxybutyl)-1,4,7,10-tetraazacyclododecane
• 英文别名: 4-(1,4,7,10-Tetrazacyclododec-1-yl)butane-1,2,3-triol
• 化学式: C₁₂H₂₈N₄O₃
• 分子量: 276.379
• InChiKey: OUCDDBCDYJPHQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.2
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  100
• 氢给体数：
  6
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  sodium monochloroacetic acid 、 1-(2,3,4-trihydroxybutyl)-1,4,7,10-tetraazacyclododecane 以 水 为溶剂， 以80%的产率得到10-(2,3,4-Trihydroxybutyl)-1,4,7-triscarboxymethyl-1,4,7,10-tetraazacyclododecane
  参考文献：
  名称：

  One-Stage Monosubstitution in Cyclen - Two Novel Examples

  摘要：

  Two new routes for alkylsubstituton of one in four amino groups in 1,4,7,10-tetraazacyclododecane (cyclen) are described, isomeric N-tris(hydroxy)butylcyclens 4 and 6 have been obtained in very good yields. Further carboxymethylation of other three amino groups afforded 10-tris(hydroxy)butyl-1,4,7-tris(carboxymethyl)cyclens 1 and 2.

  DOI：

  10.1080/00397919608003528
• 作为产物：
  描述：

  轮环藤宁 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 20.0h， 生成 1-(2,3,4-trihydroxybutyl)-1,4,7,10-tetraazacyclododecane
  参考文献：
  名称：

  One-Stage Monosubstitution in Cyclen - Two Novel Examples

  摘要：

  Two new routes for alkylsubstituton of one in four amino groups in 1,4,7,10-tetraazacyclododecane (cyclen) are described, isomeric N-tris(hydroxy)butylcyclens 4 and 6 have been obtained in very good yields. Further carboxymethylation of other three amino groups afforded 10-tris(hydroxy)butyl-1,4,7-tris(carboxymethyl)cyclens 1 and 2.

  DOI：

  10.1080/00397919608003528

文献信息

• One-Stage Monosubstitution in Cyclen - Two Novel Examples
  作者：A. A. Formanovsky、I. V. Mikhura

  DOI：10.1080/00397919608003528

  日期：1996.4

  Two new routes for alkylsubstituton of one in four amino groups in 1,4,7,10-tetraazacyclododecane (cyclen) are described, isomeric N-tris(hydroxy)butylcyclens 4 and 6 have been obtained in very good yields. Further carboxymethylation of other three amino groups afforded 10-tris(hydroxy)butyl-1,4,7-tris(carboxymethyl)cyclens 1 and 2.