Methyl 4-hydroxy-2-(phenylmethoxymethyl)benzoate | 1048386-59-9

• 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: Methyl 4-hydroxy-2-(phenylmethoxymethyl)benzoate
• 英文别名: methyl 4-hydroxy-2-(phenylmethoxymethyl)benzoate
• CAS: 1048386-59-9
• 化学式: C₁₆H₁₆O₄
• 分子量: 272.301
• InChiKey: MXLCZGAONCHNTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 4-hydroxy-2-(phenylmethoxymethyl)benzoate 、 Methyl 2-(phenylmethoxymethyl)-4-(trifluoromethylsulfonyloxy)benzoate 在 palladium diacetate potassium carbonate 作用下， 以 甲苯 为溶剂， 以71%的产率得到Methyl 4-[4-methoxycarbonyl-3-(phenylmethoxymethyl)phenoxy]-2-(phenylmethoxymethyl)benzoate
  参考文献：
  名称：

  Synthesis and characteristic stereostructure of a biphenanthryl ether

  摘要：

  A biphenanthryl ether with substituents in the bay regions was efficiently synthesized for the first time. The unique stereostructure of 1 was clarified. Its twisted conformation and optical behavior as well as its characteristic supramolecular helical structure, which is constructed through a C-H center dot center dot center dot F hydrogen bonding network in the solid state, are discussed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.05.001
• 作为产物：
  描述：

  反-1-甲氧基-3-(三甲基硅氧基)-1,3-丁二烯 、 4-(苄氧基)-2-丁炔酸甲酯 以84%的产率得到Methyl 4-hydroxy-2-(phenylmethoxymethyl)benzoate
  参考文献：
  名称：

  Synthesis and characteristic stereostructure of a biphenanthryl ether

  摘要：

  A biphenanthryl ether with substituents in the bay regions was efficiently synthesized for the first time. The unique stereostructure of 1 was clarified. Its twisted conformation and optical behavior as well as its characteristic supramolecular helical structure, which is constructed through a C-H center dot center dot center dot F hydrogen bonding network in the solid state, are discussed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.05.001

文献信息

• Synthesis and characteristic stereostructure of a biphenanthryl ether
  作者：Yasuaki Koizumi、Shinya Suzuki、Kyo Takeda、Ken Murahashi、Manabu Horikawa、Kosuke Katagiri、Hyuma Masu、Takako Kato、Isao Azumaya、Satoshi Fujii、Takumi Furuta、Kiyoshi Tanaka、Toshiyuki Kan

  DOI：10.1016/j.tetasy.2008.05.001

  日期：2008.6

  A biphenanthryl ether with substituents in the bay regions was efficiently synthesized for the first time. The unique stereostructure of 1 was clarified. Its twisted conformation and optical behavior as well as its characteristic supramolecular helical structure, which is constructed through a C-H center dot center dot center dot F hydrogen bonding network in the solid state, are discussed. (C) 2008 Elsevier Ltd. All rights reserved.