4-nitro-1-phenylhex-1-en-3-ol | 118890-12-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂醇
• 英文名称: 4-nitro-1-phenylhex-1-en-3-ol
• 英文别名: (E,3R,4S)-4-nitro-1-phenylhex-1-en-3-ol
• CAS: 118890-12-3；118890-29-2；130711-77-2
• 化学式: C₁₂H₁₅NO₃
• 分子量: 221.256
• InChiKey: MELAQZYTOMGKNJ-VDTGWRSZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  反式肉桂醛 、 硝基丙烷 生成 4-nitro-1-phenylhex-1-en-3-ol 、 4-nitro-1-phenylhex-1-en-3-ol
  参考文献：
  名称：

  Dichloroisopropoxytitanium nitronates as reagents for stereoselective Henry reactions

  摘要：

  DOI：

  10.1021/jo00267a001

文献信息

• Youn, So Won; Kim, Yong Hae, Synlett, 2000, # 6, p. 880 - 882
  作者：Youn, So Won、Kim, Yong Hae

  DOI：——

  日期：——
• Dichloroisopropoxytitanium nitronates as reagents for stereoselective Henry reactions
  作者：Anthony G. M. Barrett、Chantal Robyr、Christopher D. Spilling

  DOI：10.1021/jo00267a001

  日期：1989.3
• Environmentally Friendly Solvent-Free Processes:  Novel Dual Catalyst System in Henry Reaction
  作者：Apurba Bhattacharya、Vikram C. Purohit、Frank Rinaldi

  DOI：10.1021/op020222c

  日期：2003.5.1

  Our environmentally benign synthesis of nitroalcohols involves a simple solvent-free condensation of an appropriate aldehyde with a 1-nitroalkane utilizing a novel dual catalytic system consisting of a mineral base and an appropriate surfactant under homogeneous conditions. By proper choice of the catalyst, base, and/or reaction conditions, the reaction can be performed to a level of >90% conversion as well as selectivity.