2'-Carboxy-2-methoxydeoxybenzoin | 143882-39-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2'-Carboxy-2-methoxydeoxybenzoin
• 英文别名: 2-[2-(2-methoxyphenyl)-2-oxoethyl]benzoic acid
• CAS: 143882-39-7
• 化学式: C₁₆H₁₄O₄
• 分子量: 270.285
• InChiKey: XVNNDBUWAGZUEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.82
• 重原子数：
  20.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  63.6
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2'-Carboxy-2-methoxydeoxybenzoin 在 氰化钠 作用下， 以 二甲基亚砜 为溶剂， 反应 48.0h， 以45%的产率得到2-hydroxy-2'-carboxydeoxybenzoin
  参考文献：
  名称：

  First synthesis of spiro[benzofuran-2,1′-isobenzofuran]-3,3′-dione and its X-ray crystal structure

  摘要：

  The title compound has been synthesised by selenium dioxide oxidation of 2'-carboxy-2-hydroxydeoxybenzoin 3 and its structure has been confirmed spectroscopically and by X-ray crystallography. An earlier report of this compound's synthesis is shown to be erroneous. The synthesis of 3-(2-hydroxyphenyl)isoquinolin-1(2H)-ones from 2'-carboxy-2-hydroxydeoxybenzoin 3 is also described.

  DOI：

  10.1039/p19920001769
• 作为产物：
  描述：

  1-(2-甲氧基苯基)-1,3-丁烷二酮 、 2-溴苯甲酸 在 sodium ethanolate 、 铜 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以74%的产率得到2'-Carboxy-2-methoxydeoxybenzoin
  参考文献：
  名称：

  First synthesis of spiro[benzofuran-2,1′-isobenzofuran]-3,3′-dione and its X-ray crystal structure

  摘要：

  The title compound has been synthesised by selenium dioxide oxidation of 2'-carboxy-2-hydroxydeoxybenzoin 3 and its structure has been confirmed spectroscopically and by X-ray crystallography. An earlier report of this compound's synthesis is shown to be erroneous. The synthesis of 3-(2-hydroxyphenyl)isoquinolin-1(2H)-ones from 2'-carboxy-2-hydroxydeoxybenzoin 3 is also described.

  DOI：

  10.1039/p19920001769

文献信息

• First synthesis of spiro[benzofuran-2,1′-isobenzofuran]-3,3′-dione and its X-ray crystal structure
  作者：Roy M. Letcher、Nai-Chiu Kwok、Kung-Kai Cheung

  DOI：10.1039/p19920001769

  日期：——

  The title compound has been synthesised by selenium dioxide oxidation of 2'-carboxy-2-hydroxydeoxybenzoin 3 and its structure has been confirmed spectroscopically and by X-ray crystallography. An earlier report of this compound's synthesis is shown to be erroneous. The synthesis of 3-(2-hydroxyphenyl)isoquinolin-1(2H)-ones from 2'-carboxy-2-hydroxydeoxybenzoin 3 is also described.