(RS,SR)-1-(1-hydroxycyclopentyl)-1-(2-methylphenyl)methanephosphonic acid diethyl | 142474-99-5

• 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: (RS,SR)-1-(1-hydroxycyclopentyl)-1-(2-methylphenyl)methanephosphonic acid diethyl
• 英文别名: (+/-)-(1-hydroxycyclopentyl)(2-methylphenyl)methylphosphonic acid diethyl ester
• CAS: 142474-99-5
• 化学式: C₁₇H₂₇O₄P
• 分子量: 326.373
• InChiKey: WPDBMPKUJRKPMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.61
• 重原子数：
  22.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  55.76
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  邻甲基苄基膦酸二乙酯 、 环戊酮 在 正丁基锂 作用下， 生成 (RS,SR)-1-(1-hydroxycyclopentyl)-1-(2-methylphenyl)methanephosphonic acid diethyl
  参考文献：
  名称：

  Structures of threo(RR,SS) diethyl ester of 2-hydroxy-1,2-diphenylethylphosphonic acid and (�)diethyl ester of (1-hydroxycyclopentyl)(2-methylphenyl)methylphosphonic acid

  摘要：

  The crystal structures of threo(RR,SS) diethyl ester of 2-hydroxy-1,2-diphenylethylphosphonic acid (1) and of (+/-)diethyl ester of (1-hydroxycyclopentyl)(2-methylphenyl)methylphosphonic acid (2) have been solved by X-ray methods. They are built up in a similar way to centrosymmetric dimers of hydrogen-bonded molecules. The orientation of the substituents around the central C-C bond in both molecules fulfills the requirement for the least spatial hindrance. The observed shift of the nu(OH) stretching frequencies from 3312(1), 3346 (2) cm-1 in solid to 3408(1), 3450(2), in diluted (10(-3) M) tetrachloromethane solution, indicates the formation of intramolecular hydrogen-bonded species.

  DOI：

  10.1007/bf01199525

文献信息

• Vassilev, Nikolay G.; Petrova, Jordanka; Kirilov, Marko, Phosphorus, Sulfur and Silicon and the Related Elements, 1993, vol. 85, # 1-4, p. 49 - 58
  作者：Vassilev, Nikolay G.、Petrova, Jordanka、Kirilov, Marko

  DOI：——

  日期：——