1,4,7,10-Tetraazacyclododecane-1,7-diethanol, 4,10-bis[(4-methylphenyl)sulfonyl]- | 156574-89-9

• 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: 1,4,7,10-Tetraazacyclododecane-1,7-diethanol, 4,10-bis[(4-methylphenyl)sulfonyl]-
• 英文别名: 2-[7-(2-hydroxyethyl)-4,10-bis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododec-1-yl]ethanol
• CAS: 156574-89-9
• 化学式: C₂₆H₄₀N₄O₆S₂
• 分子量: 568.759
• InChiKey: LSUNYLPUFMGRRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  139
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  1,4,7,10-Tetraazacyclododecane-1,7-diethanol, 4,10-bis[(4-methylphenyl)sulfonyl]- 在 sodium amalgam 作用下， 以100%的产率得到2-[7-(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
  参考文献：
  名称：

  Regioselective synthesis of 1,7-diprotected 1,4,7,10-tetraazacyclododecane and preparation of a dialcohol dicarboxylic macrocyclic ligand

  摘要：

  The reaction of 1,4,7,10-tetraazacyclododecane with p-toluenesulfonyl chloride in pyridine or with diethyl phosphite and CCl4 in a water/CH2Cl2 mixture yields selectively the 1,7-diprotected regioisomer. The 1,7-diprotected tetraaza cycles are interesting starting materials, for instance for the preparation of 4,10-bis(2'-hydroxyethyl)-1,7-bis(carboxymethyl)-1,4,7,10-tetraazacyclododecane.

  DOI：

  10.1016/s0040-4039(00)73077-2
• 作为产物：
  描述：

  环氧乙烷 、 1,7-bis(4-toluenesulphonyl)-1,4,7,10-tetraazacyclododecane 在 lithium perchlorate 作用下， 以75%的产率得到1,4,7,10-Tetraazacyclododecane-1,7-diethanol, 4,10-bis[(4-methylphenyl)sulfonyl]-
  参考文献：
  名称：

  Regioselective synthesis of 1,7-diprotected 1,4,7,10-tetraazacyclododecane and preparation of a dialcohol dicarboxylic macrocyclic ligand

  摘要：

  The reaction of 1,4,7,10-tetraazacyclododecane with p-toluenesulfonyl chloride in pyridine or with diethyl phosphite and CCl4 in a water/CH2Cl2 mixture yields selectively the 1,7-diprotected regioisomer. The 1,7-diprotected tetraaza cycles are interesting starting materials, for instance for the preparation of 4,10-bis(2'-hydroxyethyl)-1,7-bis(carboxymethyl)-1,4,7,10-tetraazacyclododecane.

  DOI：

  10.1016/s0040-4039(00)73077-2

文献信息

• Dumont Amaud, Jacques Vincent, Qixiu Peng, Desreux Jean F., Tetrahedron Lett, 35 (1994) N 22, S 3707-3710
  作者：Dumont Amaud, Jacques Vincent, Qixiu Peng, Desreux Jean F.

  DOI：——

  日期：——
• Regioselective synthesis of 1,7-diprotected 1,4,7,10-tetraazacyclododecane and preparation of a dialcohol dicarboxylic macrocyclic ligand
  作者：Arnaud Dumont、Vincent Jacques、Peng Qixiu、Jean F. Desreux

  DOI：10.1016/s0040-4039(00)73077-2

  日期：1994.5

  The reaction of 1,4,7,10-tetraazacyclododecane with p-toluenesulfonyl chloride in pyridine or with diethyl phosphite and CCl4 in a water/CH2Cl2 mixture yields selectively the 1,7-diprotected regioisomer. The 1,7-diprotected tetraaza cycles are interesting starting materials, for instance for the preparation of 4,10-bis(2'-hydroxyethyl)-1,7-bis(carboxymethyl)-1,4,7,10-tetraazacyclododecane.