3,3-bis(2-methoxy-5-methylphenyl)propionic acid | 1208983-49-6

• 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: 3,3-bis(2-methoxy-5-methylphenyl)propionic acid
• 英文别名: 3,3-Bis(2-methoxy-5-methylphenyl)propanoic acid；3,3-bis(2-methoxy-5-methylphenyl)propanoic acid
• CAS: 1208983-49-6
• 化学式: C₁₉H₂₂O₄
• 分子量: 314.381
• InChiKey: IUSADXLFRIEERQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对甲苯甲醚 、 丙炔酸 在 iron(III) chloride 、 silver trifluoromethanesulfonate 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 15.0h， 以58%的产率得到3,3-bis(2-methoxy-5-methylphenyl)propionic acid
  参考文献：
  名称：

  Iron(III)-catalyzed hydroarylation of propiolic acid with activated arenes

  摘要：

  FeCl3/AgOTf-catalyzed hydroarylation of propiolic acid with electron-rich arenes such as mesitylene, tetramethylbenzene, and pentamethylbenzene in trifluoroacetic acid proceeded to give 3-arylpropenoic acids in moderate to high yields. The same reactions with anisole and 1,4-dimethoxybenzene afforded double hydroarylation products, 3,3-diarylpropionic acids. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.11.130

文献信息

• Iron(III)-catalyzed hydroarylation of propiolic acid with activated arenes
  作者：Takuya Hashimoto、Takayuki Izumi、Md. Shahajahan Kutubi、Tsugio Kitamura

  DOI：10.1016/j.tetlet.2009.11.130

  日期：2010.1

  FeCl3/AgOTf-catalyzed hydroarylation of propiolic acid with electron-rich arenes such as mesitylene, tetramethylbenzene, and pentamethylbenzene in trifluoroacetic acid proceeded to give 3-arylpropenoic acids in moderate to high yields. The same reactions with anisole and 1,4-dimethoxybenzene afforded double hydroarylation products, 3,3-diarylpropionic acids. (C) 2009 Elsevier Ltd. All rights reserved.
• Catalytic hydroarylation of alkynes with arenes in the presence of FeCl3 and AgOTf
  作者：Takuya Hashimoto、Shahajahan Kutubi、Takayuki Izumi、Ataur Rahman、Tsugio Kitamura

  DOI：10.1016/j.jorganchem.2010.08.009

  日期：2011.1

  Hydroarylation of propiolic acids with various arenes in TFA proceeded efficiently in the presence of FeCl3/AgOTf catalyst system. In the case of electron-rich arenes, the iron-catalyzed hydroarylation gave cinnamic acids in moderate to high yields. The hydroarylation of phenylacetylene was observed but the catalyst was not effective under the same conditions. (C) 2010 Elsevier B.V. All rights reserved.