spiro[cyclohexane-1,3'-[1-(1-phenyl-3-methylpyrazole-5-onilidene-4)-1,2,3,4-tetrahydroisoquinoline]] | 445378-49-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: spiro[cyclohexane-1,3'-[1-(1-phenyl-3-methylpyrazole-5-onilidene-4)-1,2,3,4-tetrahydroisoquinoline]]
• CAS: 445378-49-4
• 化学式: C₂₄H₂₅N₃O
• 分子量: 371.482
• InChiKey: KXLYJYPXXUNFES-DQRAZIAOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.67
• 重原子数：
  28.0
• 可旋转键数：
  1.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  44.7
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 spiro[cyclohexane-1,3'-[1-(1-phenyl-3-methylpyrazole-5-onilidene-4)-1,2,3,4-tetrahydroisoquinoline]] 以 丙酮 为溶剂， 生成
  参考文献：
  名称：

  Sokol; Davydov; Merkur'eva, Russian Journal of Inorganic Chemistry, 2002, vol. 47, # 3, p. 353 - 360

  摘要：

  DOI：

文献信息

• ——
  作者：V. V. Davydov、O. A. Al-Salekh、N. Yu. Mercur'eva、M. A. Ryabov、V. I. Sokol、V. S. Sergienko、Yu. V. Shklyaev

  DOI：10.1023/a:1021882631604

  日期：——

  Twenty new complexes were synthesized by reacting Co(II), Cu(II), Zn, Cr(III), Fe(III), Cd and Ag salts with 3,3-dimethyl-1-(3-methylpyrazole-5-onilidene-4)-1,2,3,4-tetrahydroisoquinoline (L-1), spiro(cyclohexane-1,3'-[1-(1-phenyl-3-methylpyrazole-5-onilidene-4)-1,2,3,4-tetrahydroisoquinoline]) (L), and 3,3dimethyl-1-(1-phenyl-3-methylpyrazole-5-onilidene-4)-1,2,3,4-tetrahydroisoquinoline (L-3). These compounds were studied by IR and electronic absorption spectroscopy. The type of coordination of their ligands was discussed on the basis of the results obtained and X-ray diffraction data for L-3 and [CuL22 Cl-2] (.) 2L(2) obtained previously.