1,4,8,11-Tetra(2-chloroethyl)-1,4,8,11-tetraazacyclotetradecane | 141208-59-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,4,8,11-Tetra(2-chloroethyl)-1,4,8,11-tetraazacyclotetradecane
• 英文别名: 1,4,8,11-tetrakis(2-chloroethyl)-1,4,8,11-tetrazacyclotetradecane
• CAS: 141208-59-5
• 化学式: C₁₈H₃₆Cl₄N₄
• 分子量: 450.323
• InChiKey: ILONEONVNOSBBQ-UHFFFAOYSA-N

物化性质

• 沸点：
  533.2±50.0 °C(Predicted)
• 密度：
  1.102±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  13
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,5-二甲基吡唑 、 1,4,8,11-Tetra(2-chloroethyl)-1,4,8,11-tetraazacyclotetradecane 在 sodium hydride 作用下， 生成 tetra-1,4,8,11-(3,5-dimethylpyrazoylethyl)-1,4,8,11-tetraazacyclotetradecane
  参考文献：
  名称：

  The design and synthesis of novel dinucleating macrocycles derived from cyclam

  摘要：

  The preparation of two new polypyrazole ligands based on the cyclam macrocycle is described. The molecules each contain four pyrazole and four aliphatic nitrogen donor atoms and are capable of simultaneously binding to two metal ions in an unsymmetrical dinucleating fashion.

  DOI：

  10.1016/s0040-4039(00)91630-7
• 作为产物：
  描述：

  N,N',N''N'''-tetrakis(2-hydroxyethyl)-1,4,8,11-tetra-azacyclotetradecane 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 生成 1,4,8,11-Tetra(2-chloroethyl)-1,4,8,11-tetraazacyclotetradecane
  参考文献：
  名称：

  The design and synthesis of novel dinucleating macrocycles derived from cyclam

  摘要：

  The preparation of two new polypyrazole ligands based on the cyclam macrocycle is described. The molecules each contain four pyrazole and four aliphatic nitrogen donor atoms and are capable of simultaneously binding to two metal ions in an unsymmetrical dinucleating fashion.

  DOI：

  10.1016/s0040-4039(00)91630-7

文献信息

• The design and synthesis of novel dinucleating macrocycles derived from cyclam
  作者：Mitchell R. Malachowski、Laura J. Tomlinson、Michael J. Parker、J.Daniel Davis

  DOI：10.1016/s0040-4039(00)91630-7

  日期：1992.3

  The preparation of two new polypyrazole ligands based on the cyclam macrocycle is described. The molecules each contain four pyrazole and four aliphatic nitrogen donor atoms and are capable of simultaneously binding to two metal ions in an unsymmetrical dinucleating fashion.