5-ferrocenyl-12-methoxy-3,4-diazatricyclo[7.4.3.0(2,6)]trideca-2,9,11,13-tetraene | 718628-35-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 5-ferrocenyl-12-methoxy-3,4-diazatricyclo[7.4.3.0(2,6)]trideca-2,9,11,13-tetraene
• 英文别名: cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-yl-8-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazole;iron(2+)
• CAS: 718628-35-4
• 化学式: C₂₂H₂₂FeN₂O
• 分子量: 386.276
• InChiKey: JSFBOULHBGVFPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.43
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  33.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-ferrocenyl-12-methoxy-3,4-diazatricyclo[7.4.3.0(2,6)]trideca-2,9,11,13-tetraene 、 乙酸酐 以 乙酸酐 为溶剂， 以72%的产率得到4-acetyl-5-ferrocenyl-12-methoxy-3,4-diazatricyclo[7.4.3.0(2,6)]trideca-2,9,11,13-tetraene
  参考文献：
  名称：

  Stereoselectivity of formation of polycyclic ferrocenyl-4,5-dihydropyrazoles based on E- and Z-s-cis-α,β-enones

  摘要：

  Reaction of E- and Z-isomeric 2-ferrocenylmethylidene-1-tetralone, 2-ferrocenylmethylidene-3-quinuclidinone 1-methyl-3-ferrocenylmethylidene-4-piperidone and 2-ferrocenylmethylidenetropinone with hydrazine proceeds stereospecifically with the-formation of the same diastereomeric polycyclic ferrocenyldihydropyrazoles independently of the geometric configuration of the starting alpha,beta -unsaturated ketones. X-ray structural analysis is presented for the trans-diastereomer of 4-acetyl-3-ferrocenyl-1,4,5-triazatricyclo[5.2.2.0(2,6)]undec-5-ene. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)00761-6
• 作为产物：
  描述：

  hydrazine hydrate 、 Z-2-ferrocenylmethylidene-7-methoxy-1-tetralone 以 乙醇 为溶剂， 以72%的产率得到5-ferrocenyl-12-methoxy-3,4-diazatricyclo[7.4.3.0(2,6)]trideca-2,9,11,13-tetraene
  参考文献：
  名称：

  Stereoselectivity of formation of polycyclic ferrocenyl-4,5-dihydropyrazoles based on E- and Z-s-cis-α,β-enones

  摘要：

  Reaction of E- and Z-isomeric 2-ferrocenylmethylidene-1-tetralone, 2-ferrocenylmethylidene-3-quinuclidinone 1-methyl-3-ferrocenylmethylidene-4-piperidone and 2-ferrocenylmethylidenetropinone with hydrazine proceeds stereospecifically with the-formation of the same diastereomeric polycyclic ferrocenyldihydropyrazoles independently of the geometric configuration of the starting alpha,beta -unsaturated ketones. X-ray structural analysis is presented for the trans-diastereomer of 4-acetyl-3-ferrocenyl-1,4,5-triazatricyclo[5.2.2.0(2,6)]undec-5-ene. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)00761-6