methyl (E)-3-(4-methoxyphenyl)-2-[(5-pyridin-4-yltetrazol-1-yl)methyl]prop-2-enoate | 1192824-66-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: methyl (E)-3-(4-methoxyphenyl)-2-[(5-pyridin-4-yltetrazol-1-yl)methyl]prop-2-enoate
• CAS: 1192824-66-0
• 化学式: C₁₈H₁₇N₅O₃
• 分子量: 351.365
• InChiKey: JWIZJBTYBLBCES-RVDMUPIBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  92
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-氰基吡啶 、 methyl (E)-2-(azidomethyl)-3-(4-methoxyphenyl)prop-2-enoate 生成 methyl (E)-3-(4-methoxyphenyl)-2-[(5-pyridin-4-yltetrazol-1-yl)methyl]prop-2-enoate
  参考文献：
  名称：

  Solvent free synthesis of 1,5-disubstituted tetrazoles derived from Baylis Hillman acetates as potential TNF-α inhibitors

  摘要：

  Solvent free multicomponent reaction of Baylis Hillman acetate, TMS azide and arylnitrile to produce 1,5-disubstituted tetrazole is described. Some of these tetrazoles are found to be potential TNF-alpha inhibitors. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.047

文献信息

• Solvent free synthesis of 1,5-disubstituted tetrazoles derived from Baylis Hillman acetates as potential TNF-α inhibitors
  作者：P. Srihari、Palash Dutta、R. Srinivasa Rao、J.S. Yadav、S. Chandrasekhar、P. Thombare、J. Mohapatra、A. Chatterjee、Mukul R. Jain

  DOI：10.1016/j.bmcl.2009.08.047

  日期：2009.10

  Solvent free multicomponent reaction of Baylis Hillman acetate, TMS azide and arylnitrile to produce 1,5-disubstituted tetrazole is described. Some of these tetrazoles are found to be potential TNF-alpha inhibitors. (C) 2009 Elsevier Ltd. All rights reserved.