cis-cyclohexanocyclam | 132841-55-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: cis-cyclohexanocyclam
• 英文别名: 2,3-cis-cyclohexano-1,4,8,11-tetraazacyclotetradecane；cis-cyclohexylcyclam；(1R,14S)-2,6,9,13-tetrazabicyclo[12.4.0]octadecane
• CAS: 132841-55-5
• 化学式: C₁₄H₃₀N₄
• 分子量: 254.419
• InChiKey: MZEILKSHDNHCRC-OKILXGFUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  2.0
• 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：

  copper(II) perchlorate hexahydrate 、 cis-cyclohexanocyclam 以 甲醇 为溶剂， 以73%的产率得到(2,3-cis-cyclohexano-1,4,8,11-tetraazacyclotetradecane)copper(II) diperchlorate
  参考文献：
  名称：

  Preparation and spectral properties of nickel(II) and copper(II) complexes with two isomeric cyclohexylcyclams

  摘要：

  The nickel(II) complexes-of two isomeric cyclohexylcyclams were prepared by employing a nickel template reaction. The cyclohexylcyclams were synthesized from the nickel(II)-complexes and then the copper(II) complexes were prepared from the free ligands and copper(II) perchlorate. The nickel(II) and copper(II) complexes exhibit clusters of ions corresponding to [M-ClO4](+) and [M-2ClO(4)+-2H](+) which is the base peak in FAB mass spectra. A strong band observed at ca 3200 cm(-1) is assigned to the N-H stretching mode and the band is slightly shifted to lower frequency on metal coordination, indicating freshly strong bands due to ClO4- stretching mode at ca 1090 and ca 620 cm(-1). The molar conductances for the complexes are 1:2 electrolytes in N,N-dimethylformamide and the perchlorate anions are ionized on dissolution in the solvent. The nickel(II) and copper(II) complexes of the two isomers are subjected to the square,planar ligand-field, but the ligand-field band for the nickel(II) complex of isomer L-t(3), trans-cyclohexylcyclam, shows the distorted octahedral form in coordinating solvent. ESR spectra for the copper(II) complexes of the two isomers also give the spin Hamiltonian parameters of the square-planar coordination. C-13-NMR spectral results are com; parable with those of another spectra. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(97)00405-1
• 作为产物：
  描述：

  Ni(cis-cyclohexanocyclam)(ClO4)2 在 NaCN 作用下， 以 水 为溶剂， 以70%的产率得到cis-cyclohexanocyclam
  参考文献：
  名称：

  Kobiro, Kazuya; Nakayama, Atsuyoshi; Hiro, Toshitaka, Inorganic Chemistry, 1992, vol. 31, # 4, p. 676 - 685

  摘要：

  DOI：

文献信息

• Synthesis of Sterically Congested Cyclam Derivatives and Their Nickel(II) Complexes
  作者：Kazuya Kobiro、Atsuyoshi Nakayama、Toshitaka Hiro、Mitsuhito Suwa、Kiyomi Kakiuchi、Yoshito Tobe、Yoshinobu Odaira

  DOI：10.1246/cl.1990.1979

  日期：1990.11

  octamethylcyclam, and its related compounds bearing tetramethylethane, cis-cyclohexane, or trans-cyclohexane subunit(s) have been synthesized. Nickel(II) complexes with sterically congested ligands have been shown to be low-spin complexes in water, while those with less congested ligands to be mixtures of low-spin and high-spin ones. Nickel(II) complexes with sterically congested ligands have been also exhibited

  已经合成了一类新的环己烯、八甲基环己烯及其相关化合物，其带有四甲基乙烷、顺式环己烷或反式环己烷亚单元。具有空间拥塞配体的镍 (II) 配合物已被证明是水中的低自旋配合物，而那些拥塞程度较低的配体则是低自旋和高自旋配体的混合物。具有空间拥挤配体的镍 (II) 配合物也表现出比具有较少拥挤配体的配合物具有更高的半波电位 (E1/2(NiII,III))。