6,6'-methylene-bis-(4-chloro-α-4''-N-methylpiperazino)-o-cresol | 86010-36-8

• 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: 6,6'-methylene-bis-(4-chloro-α-4''-N-methylpiperazino)-o-cresol
• 英文别名: bis[2-hydroxy-5-chloro((4-methylpiperazin-1-yl)methyl)phenyl]methane；4-chloro-2-[[5-chloro-2-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-6-[(4-methylpiperazin-1-yl)methyl]phenol
• CAS: 86010-36-8
• 化学式: C₂₅H₃₄Cl₂N₄O₂
• 分子量: 493.477
• InChiKey: VFUSLQIKLVADBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.49
• 重原子数：
  33.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  53.42
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 6,6'-methylene-bis-(4-chloro-α-4''-N-methylpiperazino)-o-cresol 在 lithium hydroxide 作用下， 以 乙醇 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  Synthesis and characterisation of copper(II) complexes derived from methylene bridged bis(tridentate) ligands

  摘要：

  New methylene bridged bis(tridentate) binucleating ligands, bis[2-hydroxy-5-chloro{(4-methylpiperazm-1-yl)methyl} phenyl]methane (L(1)H(2)), bis[2-hydroxy-3-{(1-imino-N,N-dimethylaminopropyl)ethyl}-5-chlorophenyl]methane (L(2)H(2)) and bis[2-hydroxy-3-{(1-imino-N,N-diethylaminopropyl)ethyl}-5-chlorophenyl] methane (L(3)H(2)) and their copper(II) complexes have been synthesised and reported. These complexes have been characterised by elemental analysis, electronic and ESR spectroscopy. The binuclearity of these complexes were confirmed by FAB mass spectroscopy. Electrochemical studies of the complexes suggested that the reduction processes are quasi-reversible single step two electron transfer Cu(II)Cu(II)/Cu(I)Cu(I) at negative potentials (-0.2 to -0.6 V). The magnetic moment mu(eff) (per Cu) for these complexes at 298 K are found in the range 1.71 to 1.83 B.M. Variable temperature magnetic susceptibility measurements revealed the absence of exchange coupling between Cu(II) centres. ESR spectra of these complexes at liquid nitrogen temperature (77 K) are similar to mononuclear copper(II) complex with nuclear spin 3/2. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(97)00276-3
• 作为产物：
  描述：

  双氯酚 、 聚合甲醛 、 N-甲基哌嗪 生成 6,6'-methylene-bis-(4-chloro-α-4''-N-methylpiperazino)-o-cresol
  参考文献：
  名称：

  PARTHASARATHY, P. C.;MUDLIAR, S.;DESAI, H. K.;RAY, D. K.;SRIVASTAVA, V. B+, INDIAN J. CHEM., 1982, 21, N 10, 969-970

  摘要：

  DOI：

文献信息

• Parthasarathy, P. C.; Mudliar, Sheela; Desai, H. K., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1982, vol. 21, # 10, p. 969 - 970
  作者：Parthasarathy, P. C.、Mudliar, Sheela、Desai, H. K.、Ray, D. K.、Srivastava, V. B.、Dutta, A. K.

  DOI：——

  日期：——