5,12-Dimethyl-1,4,8,11-tetraazacyclotetradecan | 25682-09-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 5,12-Dimethyl-1,4,8,11-tetraazacyclotetradecan
• 英文别名: 5,12-dimethyl-1,4,8,11-tetraazacyclotetradekan；meso-5,12-Dimethyl-1,4,8,11-tetra-azacyclotetradecan；meso-5,12-Dimethyl-1,4,8,11-tetraaza-cyclotetradecane；d,l-5,12-Dimethyl-1,4,8,11-tetra-azacyclotetradecan；dl-5,12-Dimethyl-1,4,8,11-tetraaza-cyclotetradecane；5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane；1,4,8,11-Tetraazacyclotetradecane, 5,12-dimethyl-；5,12-dimethyl-1,4,8,11-tetrazacyclotetradecane
• CAS: 25682-09-1
• 化学式: C₁₂H₂₈N₄
• 分子量: 228.381
• InChiKey: ZATMZFRYHBHNEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  48.1
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  zinc perchlorate 、 5,12-Dimethyl-1,4,8,11-tetraazacyclotetradecan 在 二氧化碳 作用下， 以 甲醇 为溶剂， 以49%的产率得到
  参考文献：
  名称：

  Kato, Masako; Ito, Tasuku, Inorganic Chemistry, 1985, vol. 24, # 4, p. 504 - 508

  摘要：

  DOI：

文献信息

• Synthesis, crystal structure and formation kinetics of zinc(II) and copper(II) complexes with 5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane
  作者：Ki-Young Choi

  DOI：10.1016/s0277-5387(96)00506-2

  日期：1997.4

  The complex [Zn(L)Cl][ClO4](1) (L = 5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane) has been prepared and characterized by X-ray crystallography. The structure of 1 consists ofisolated [Zn(L)C1](+) cations and ClO4- counter anions. The coordination of the zinc atom is a distorted square pyramid with four nitrogens of the macrocycle occupying the basal sites [Zn-N-av = 2.121(9) Angstrom] and a terminal chloride ligand at the apical position with a Zn-Cl distance of 2.275(3) Angstrom. The complexation reactions of Zn2+ and Cu2+ with L have been studied by using stopped-flow spectrophotometry. The measurements were made at 25.0+/-0.1 degrees C in an aqueous solution of 0.10 M (NaClO4) ionic strength. The formation reaction takes place by rapid formation of an intermediate complex (MH(2)L(2-*)), which proceeds to the final product in the rate-determining step. The stability constants (logK(MH2L2-*)) and specific base-catalysed rate constants (k(OH)) of intermediate complexes have been determined from the kinetic data. In the pH range examined, the monoprotonated (HL(3-)) form of L is the kinetically active species despite its low concentration. (C) 1997 Elsevier Science Ltd.
• <i>trans</i>-Diaqua(<i>C</i>-<i>meso</i>-5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>′,<i>N</i>′′,<i>N</i>′′′)copper(II) dichloride dihydrate
  作者：Kaliyamoorthy Panneerselvam、Tian-Huey Lu、Ta-Yung Chi、Shu-Fang Tung、Chung-Sun Chung

  DOI：10.1107/s0108270199015474

  日期：2000.3.15