3,4-Tetramethylen-5-phenyl-4,5-dihydro-pyrazol | 16107-77-0

• 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: 3,4-Tetramethylen-5-phenyl-4,5-dihydro-pyrazol
• 英文别名: 3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole；3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole
• CAS: 16107-77-0
• 化学式: C₁₃H₁₆N₂
• 分子量: 200.283
• InChiKey: IBAFORMQDQFBDT-UHFFFAOYSA-N

物化性质

• 沸点：
  334.5±45.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,4-Tetramethylen-5-phenyl-4,5-dihydro-pyrazol 以 1,4-二氧六环 为溶剂， 反应 6.0h， 生成 4,5,6,7-四氢-3-苯基-1H-吲唑
  参考文献：
  名称：

  Synthesis of hydrogenated indazole derivatives starting with α,β-unsaturated ketones and hydrazine derivatives

  摘要：

  The reaction of hydrazine derivatives with alpha,beta-unsaturated ketones, such as cyclohexenyl(phenyl) methanone and (E)-2-benzylidenecyclohexanone, were investigated.The reaction between methylhydrazine and e.g., cyclohexenyl(phenyl)methanone was particularly interesting as 3a,4,5,6,7,7a-hexahydro-1-methyl-3-phenyl-1H-indazole was obtained as the major product together with 4,5,6,7-tetrahydro-2-methyl-3-phenyl-2H-indazole as a minor product. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.01.041
• 作为产物：
  描述：

  2-苄烯基环己酮 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 3,4-Tetramethylen-5-phenyl-4,5-dihydro-pyrazol
  参考文献：
  名称：

  Bilgin; Yesilada; Palaska, Arzneimittel-Forschung/Drug Research, 1992, vol. 42, # 11, p. 1271 - 1273

  摘要：

  DOI：

文献信息

• US4193905A
  申请人：——

  公开号：US4193905A

  公开（公告）日：1980-03-18
• Bilgin; Yesilada; Palaska, Arzneimittel-Forschung/Drug Research, 1992, vol. 42, # 11, p. 1271 - 1273
  作者：Bilgin、Yesilada、Palaska、Sunal

  DOI：——

  日期：——
• Synthesis of hydrogenated indazole derivatives starting with α,β-unsaturated ketones and hydrazine derivatives
  作者：Azadeh Nakhai、Jan Bergman

  DOI：10.1016/j.tet.2009.01.041

  日期：2009.3

  The reaction of hydrazine derivatives with alpha,beta-unsaturated ketones, such as cyclohexenyl(phenyl) methanone and (E)-2-benzylidenecyclohexanone, were investigated.The reaction between methylhydrazine and e.g., cyclohexenyl(phenyl)methanone was particularly interesting as 3a,4,5,6,7,7a-hexahydro-1-methyl-3-phenyl-1H-indazole was obtained as the major product together with 4,5,6,7-tetrahydro-2-methyl-3-phenyl-2H-indazole as a minor product. (C) 2009 Elsevier Ltd. All rights reserved.