methyl 3-(bis(4-chlorophenyl)methyl)-5-ethyl-6-hydroxy-2,4-dimethylbenzoate | 1140822-02-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: methyl 3-(bis(4-chlorophenyl)methyl)-5-ethyl-6-hydroxy-2,4-dimethylbenzoate
• 英文别名: Methyl 5-[bis(4-chlorophenyl)methyl]-3-ethyl-2-hydroxy-4,6-dimethylbenzoate；methyl 5-[bis(4-chlorophenyl)methyl]-3-ethyl-2-hydroxy-4,6-dimethylbenzoate
• CAS: 1140822-02-1
• 化学式: C₂₅H₂₄Cl₂O₃
• 分子量: 443.37
• InChiKey: QAARCHKDLQDEML-UHFFFAOYSA-N

物化性质

• 熔点：
  127-128 °C
• 沸点：
  545.0±50.0 °C(predicted)
• 密度：
  1.237±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-(bis(4-chlorophenyl)methyl)-4-(trimethylsilyloxy)-pent-3-en-2-one 、 1,3-bis(trimethylsiloxy)-1-methoxyhexa-1,3-diene 在 四氯化钛 作用下， 以 二氯甲烷 为溶剂， 以42%的产率得到methyl 3-(bis(4-chlorophenyl)methyl)-5-ethyl-6-hydroxy-2,4-dimethylbenzoate
  参考文献：
  名称：

  Synthesis of functionalized triarylmethanes based on a ‘FeCl3-catalyzed benzylation/[3+3] cyclocondensation’ strategy

  摘要：

  Functionalized triarylmethanes are prepared in two steps by FeCl3-catalyzed benzylation of acetylacetone to give 3-(diarylmethyl)pentane-2,4-diones and subsequent formal [3+3] cyclization of the latter with 1,3-bis(trimethylsilyloxy)-1,3-dienes. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.01.079

文献信息

• Synthesis of functionalized triarylmethanes based on a ‘FeCl3-catalyzed benzylation/[3+3] cyclocondensation’ strategy
  作者：Rasheed Ahmad、Abdolmajid Riahi、Peter Langer

  DOI：10.1016/j.tetlet.2009.01.079

  日期：2009.4

  Functionalized triarylmethanes are prepared in two steps by FeCl3-catalyzed benzylation of acetylacetone to give 3-(diarylmethyl)pentane-2,4-diones and subsequent formal [3+3] cyclization of the latter with 1,3-bis(trimethylsilyloxy)-1,3-dienes. (C) 2009 Elsevier Ltd. All rights reserved.