ethyl 4,5,6-trimethyl-2-phenoxybenzoate | 917592-88-2

• 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: ethyl 4,5,6-trimethyl-2-phenoxybenzoate
• 英文别名: ethyl 2,3,4-trimethyl-6-phenoxybenzoate；Ethyl 2,3,4-trimethyl-6-phenoxybenzoate
• CAS: 917592-88-2
• 化学式: C₁₈H₂₀O₃
• 分子量: 284.355
• InChiKey: ZPTZYULMIPTSSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 4,5,6-trimethyl-2-phenoxybenzoate 在 硫酸 作用下， 以 水 为溶剂， 以83%的产率得到1,2,3-trimethylxanth-9-one
  参考文献：
  名称：

  Synthesis of functionalized 2-alkoxybenzoates, 2-aryloxybenzoates and xanthones based on formal [3+3] cyclocondensations of 3-alkoxy- and 3-aryloxy-1-silyloxy-1,3-butadienes with 3-silyloxy-2-en-1-ones

  摘要：

  Functionalized 2-alkoxy- and 2-aryloxybenzoates were prepared by formal [3+3] cyclocondensations of 3-alkoxy- and 3-aryloxy-1-silyloxy-1,3-butadienes with 3-silyloxy-2-en-1-ones. The reaction of 2-aryloxybenzoates with concentrated sulfuric acid resulted in the formation of xanthones. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.02.052
• 作为产物：
  描述：

  1-ethoxy-3-phenoxy-1-(trimethylsiloxy)buta-1,3-diene 、 3-methyl-4-(trimethylsilyloxy)-3-penten-2-one 在 四氯化钛 、 盐酸 、 水 作用下， 以 二氯甲烷 为溶剂， 反应 14.0h， 以44%的产率得到ethyl 4,5,6-trimethyl-2-phenoxybenzoate
  参考文献：
  名称：

  Synthesis of functionalized 2-alkoxybenzoates, 2-aryloxybenzoates and xanthones based on formal [3+3] cyclocondensations of 3-alkoxy- and 3-aryloxy-1-silyloxy-1,3-butadienes with 3-silyloxy-2-en-1-ones

  摘要：

  Functionalized 2-alkoxy- and 2-aryloxybenzoates were prepared by formal [3+3] cyclocondensations of 3-alkoxy- and 3-aryloxy-1-silyloxy-1,3-butadienes with 3-silyloxy-2-en-1-ones. The reaction of 2-aryloxybenzoates with concentrated sulfuric acid resulted in the formation of xanthones. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.02.052

文献信息

• Synthesis of functionalized arylalkyl and diaryl ethers by [3+3] cyclization of 3-alkoxy- and 3-aryloxy-1-siloxy-1,3-butadienes with 3-(silyloxy)alk-2-en-1-ones
  作者：Gerson Mroß、Peter Langer

  DOI：10.1016/j.tetlet.2006.09.126

  日期：2006.11

  Functionalized diaryl ethers were prepared by [3+3] cyclization of 3-aryloxy-1-siloxy-1,3-butadienes with 3-(silyloxy)alk-2-en-1-ones. (c) 2006 Elsevier Ltd. All rights reserved.
• Synthesis of functionalized 2-alkoxybenzoates, 2-aryloxybenzoates and xanthones based on formal [3+3] cyclocondensations of 3-alkoxy- and 3-aryloxy-1-silyloxy-1,3-butadienes with 3-silyloxy-2-en-1-ones
  作者：Gerson Mroß、Helmut Reinke、Christine Fischer、Peter Langer

  DOI：10.1016/j.tet.2009.02.052

  日期：2009.5

  Functionalized 2-alkoxy- and 2-aryloxybenzoates were prepared by formal [3+3] cyclocondensations of 3-alkoxy- and 3-aryloxy-1-silyloxy-1,3-butadienes with 3-silyloxy-2-en-1-ones. The reaction of 2-aryloxybenzoates with concentrated sulfuric acid resulted in the formation of xanthones. (C) 2009 Elsevier Ltd. All rights reserved.