1,1-Dibenzoyl-2-(4-(N,N-dimethylamino)phenyl)ethane | 134628-00-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1,1-Dibenzoyl-2-(4-(N,N-dimethylamino)phenyl)ethane
• 英文别名: 2-(4-dimethylamino-benzyl)-1,3-diphenyl-propane-1,3-dione；2-(4-Dimethylamino-benzyl)-1,3-diphenyl-propan-1,3-dion；2-[[4-(Dimethylamino)phenyl]methyl]-1,3-diphenylpropane-1,3-dione
• CAS: 134628-00-5
• 化学式: C₂₄H₂₃NO₂
• 分子量: 357.452
• InChiKey: IXUHALYWVIEEEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  27
• 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：
  37.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N,N-dimethylaniline 、 二苯甲酰基甲烷 在 zinc dibromide 作用下， 以 甲苯 为溶剂， 反应 27.0h， 以25%的产率得到1,1-Dibenzoyl-2-(4-(N,N-dimethylamino)phenyl)ethane
  参考文献：
  名称：

  Benzotriazole as a synthetic auxiliary: advantageous syntheses of substituted diarylmethanes and heterocyclic analogs

  摘要：

  4-(Benzotriazol-1-ylmethyl)-N,N-dimethylaniline (1b) can be substituted at the CH2 link via lithiation. Both the parent and substituted derivatives react with a variety of electron-rich benzenoid and heteroaromatic compounds in a novel approach to leuco dyes. Other 4-(benzotriazol-1-ylmethyl)anilines react similarly.

  DOI：

  10.1021/jo00014a014

文献信息

• 242. A contribution to the chemistry of the Knoevenagel and similar reactions
  作者：L. H. Smith、K. N. Welch

  DOI：10.1039/jr9340001136

  日期：——
• KATRIZKY, ALAN R.;LAN, XIANGFU;LAM, JAMSHED N., J. ORG. CHEM., 56,(1991) N4, C. 4397-4403
  作者：KATRIZKY, ALAN R.、LAN, XIANGFU、LAM, JAMSHED N.

  DOI：——

  日期：——
• Benzotriazole as a synthetic auxiliary: advantageous syntheses of substituted diarylmethanes and heterocyclic analogs
  作者：Alan R. Katritzky、Xiangfu Lan、Jamshed N. Lam

  DOI：10.1021/jo00014a014

  日期：1991.7

  4-(Benzotriazol-1-ylmethyl)-N,N-dimethylaniline (1b) can be substituted at the CH2 link via lithiation. Both the parent and substituted derivatives react with a variety of electron-rich benzenoid and heteroaromatic compounds in a novel approach to leuco dyes. Other 4-(benzotriazol-1-ylmethyl)anilines react similarly.