3,3-diphenyl-3H-2,1-benzoxathiol-1-oxide-7-carboxylic acid | 137726-58-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - Benzoxathioles
• 英文名称: 3,3-diphenyl-3H-2,1-benzoxathiol-1-oxide-7-carboxylic acid
• 英文别名: 1-Oxo-3,3-diphenyl-2,1lambda4-benzoxathiole-7-carboxylic acid；1-oxo-3,3-diphenyl-2,1λ4-benzoxathiole-7-carboxylic acid
• CAS: 137726-58-0
• 化学式: C₂₀H₁₄O₄S
• 分子量: 350.395
• InChiKey: IXMZCUZVJCRGPH-UHFFFAOYSA-N

物化性质

• 沸点：
  551.8±60.0 °C(Predicted)
• 密度：
  1.49±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  82.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-tert-butylsulfonyl-3-(1-hydroxy-1,1-diphenylmethyl)benzoic acid 在 盐酸 作用下， 反应 17.0h， 生成 3,3-diphenyl-3H-2,1-benzoxathiol-1-oxide-7-carboxylic acid
  参考文献：
  名称：

  Metallation and funct1onalization of o-sulfonyldi- and o-sulfonyltriarylcarbinols. Unexpectedly facile cyclization of tert-butyl-sulfonylcarbinol into a sultine

  摘要：

  The lithiation of o-sulfonyltriphenylcarbinols proceeds in the ortho position relative to the sulfonyl group, as indicated by formation of the corresponding carboxylic acids upon the action of CO2. Unusual facility was found for the loss of the tert-butyl group in 2-(tert-butylsulfonyl)-3-diphenylhydroxymethyl-benzoic acid in acid media to give the corresponding sultine.

  DOI：

  10.1007/bf00963512

文献信息

• Metallation and funct1onalization of o-sulfonyldi- and o-sulfonyltriarylcarbinols. Unexpectedly facile cyclization of tert-butyl-sulfonylcarbinol into a sultine
  作者：O. O. Mamaeva、F. M. Stoyanovich、M. M. Krayushkin

  DOI：10.1007/bf00963512

  日期：1991.10

  The lithiation of o-sulfonyltriphenylcarbinols proceeds in the ortho position relative to the sulfonyl group, as indicated by formation of the corresponding carboxylic acids upon the action of CO2. Unusual facility was found for the loss of the tert-butyl group in 2-(tert-butylsulfonyl)-3-diphenylhydroxymethyl-benzoic acid in acid media to give the corresponding sultine.