2-Chloro-4-(4-chlorophenyl)-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinan-2-one | 875336-37-1

• 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: 2-Chloro-4-(4-chlorophenyl)-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinan-2-one
• 英文别名: 2-chloro-4-(4-chlorophenyl)-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
• CAS: 875336-37-1
• 化学式: C₁₁H₁₃Cl₂O₃P
• 分子量: 295.102
• InChiKey: FUOQMPMDECQITH-UHFFFAOYSA-N

物化性质

• 沸点：
  314.1±42.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Chloro-4-(4-chlorophenyl)-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinan-2-one 在 sodium hydroxide 作用下， 反应 0.25h， 生成 (+)-4-(4-chlorophenyl)-5,5-dimethyl-2-hydroxy-1,3,2-dioxaphosphorinane 2-oxide
  参考文献：
  名称：

  The design of resolving agents. Chiral cyclic phosphoric acids

  摘要：

  DOI：

  10.1021/jo00223a018
• 作为产物：
  描述：

  1-(4-chlorophenyl)-2,2-dimethylpropane-1,3-diol 在 三氯氧磷 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 2-Chloro-4-(4-chlorophenyl)-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinan-2-one
  参考文献：
  名称：

  Synthesis and Fugicidal Activities of 2-Silatranyl Propylamino-4-substitued Phenyl(Hydrogen)-5,5-dimethyl-1,3,2-dioxaphosphinanes-2-oxides (Sulfides)

  摘要：

  Phosphoryl-aminopropyl-silatranes 4 were synthesized by nucleophilic reactions of 2-Cl-1,3,2- dioxaphosphinanes 2 with gamma-aminopropyl-silatrane 3, which was obtained by the cyclization reaction of triethanolamine and gamma-aminopropyltriethoxysilane. The structures of the products were characterized by H-1 NMR, P-31 NMR, IR, MS, and elemental analyses. The target compounds 4 exhibited fungicidal activity.

  DOI：

  10.1080/104265090968343

文献信息

• The design of resolving agents. Chiral cyclic phosphoric acids
  作者：Wolter Ten Hoeve、Hans Wynberg

  DOI：10.1021/jo00223a018

  日期：1985.11
• Synthesis and Fugicidal Activities of 2-Silatranyl Propylamino-4-substitued Phenyl(Hydrogen)-5,5-dimethyl-1,3,2-dioxaphosphinanes-2-oxides (Sulfides)
  作者：Shi-Guan Wan、Xing-Yu Yang、Yan Yu、Chang Liu

  DOI：10.1080/104265090968343

  日期：2005.12

  Phosphoryl-aminopropyl-silatranes 4 were synthesized by nucleophilic reactions of 2-Cl-1,3,2- dioxaphosphinanes 2 with gamma-aminopropyl-silatrane 3, which was obtained by the cyclization reaction of triethanolamine and gamma-aminopropyltriethoxysilane. The structures of the products were characterized by H-1 NMR, P-31 NMR, IR, MS, and elemental analyses. The target compounds 4 exhibited fungicidal activity.