2-(3,3-dimethyl-1,2,3,4-tetrahydroisoquinolydene-1)-5,5-dimethyl-2,3,5,6-tetrahydroimidazo[2,1-a]isoquinoline-3-one | 201946-29-4

• 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: 2-(3,3-dimethyl-1,2,3,4-tetrahydroisoquinolydene-1)-5,5-dimethyl-2,3,5,6-tetrahydroimidazo[2,1-a]isoquinoline-3-one
• 英文别名: 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-5,5-dimethyl-6H-imidazo[2,1-a]isoquinolin-3-one
• CAS: 201946-29-4
• 化学式: C₂₄H₂₅N₃O
• mdl: MFCD01532256
• 分子量: 371.482
• InChiKey: UEKQYFOYKNLYBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  28.0
• 可旋转键数：
  0.0
• 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 、 2-(3,3-dimethyl-1,2,3,4-tetrahydroisoquinolydene-1)-5,5-dimethyl-2,3,5,6-tetrahydroimidazo[2,1-a]isoquinoline-3-one 以 丙酮 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and Spectroscopic Study of Iron(III) and Copper(II) Chloride Complexes with 2-(3,3-Dimethyl-1,2,3,4-tetrahydroisoquinolylidene-1)-5,5-dimethyl-2,3,5,6-tetrahydroimidazo[2,1-a]isoquinoline-3-one (L). The Crystal Structure of L

  摘要：

  Complexes of Fe(III) and Cu(II) chlorides with 2-(3,3,-dimethyl-1,2,3,4-tetrahydroisoquinolylidene-1)-5,5-dimethyl-2,3,5,6-tetrahydroimidazo[2,1-a]isoquinoline-3-one (L) were synthesized and studied by IR and electronic absorption spectroscopy. X-ray diffraction analysis of compound L was carried out. The molecule of L was found to crystallize in the form of cis-isomer with the proton localized on the nitrogen atom of the dihydroisoquinoline fragment.

  DOI：

  10.1023/b:ruco.0000003439.10454.67

文献信息

• Synthesis and Spectroscopic Study of Iron(III) and Copper(II) Chloride Complexes with 2-(3,3-Dimethyl-1,2,3,4-tetrahydroisoquinolylidene-1)-5,5-dimethyl-2,3,5,6-tetrahydroimidazo[2,1-<i>a</i>]isoquinoline-3-one (L). The Crystal Structure of L
  作者：V. I. Sokol、V. V. Davydov、N. Yu. Merkur'eva、M. A. Ryabov、V. S. Sergienko、S. A. Pervushina、Yu. V. Shklyaev

  DOI：10.1023/b:ruco.0000003439.10454.67

  日期：2003.11

  Complexes of Fe(III) and Cu(II) chlorides with 2-(3,3,-dimethyl-1,2,3,4-tetrahydroisoquinolylidene-1)-5,5-dimethyl-2,3,5,6-tetrahydroimidazo[2,1-a]isoquinoline-3-one (L) were synthesized and studied by IR and electronic absorption spectroscopy. X-ray diffraction analysis of compound L was carried out. The molecule of L was found to crystallize in the form of cis-isomer with the proton localized on the nitrogen atom of the dihydroisoquinoline fragment.