1,3-Dioxolane, 2-(chloromethyl)-2-(4-methoxyphenyl)- | 494221-42-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,3-Dioxolane, 2-(chloromethyl)-2-(4-methoxyphenyl)-
• 英文别名: 2-(chloromethyl)-2-(4-methoxyphenyl)-1,3-dioxolane
• CAS: 494221-42-0
• 化学式: C₁₁H₁₃ClO₃
• 分子量: 228.67
• InChiKey: DMKDJBPQGJHSDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND
  申请人：Ishii Yutaka

  公开号：US20110288315A1

  公开（公告）日：2011-11-24

  A 2-aryl-2-halomethyl-4-chloromethyl-1,3-dioxolane (A) can be produced conveniently without decreasing its optical purity by reacting an optically active monochlorohydrin and an aryl (halomethyl) ketone (starting materials) with each other in the presence of an acid catalyst. From the optically active compound (A) thus produced, an optically active carboxylic acid (2-aryl-2-halomethyl-1,3-dioxolan-4-yl)methyl ester and an optically active sulfonic acid (2-aryl-2-halomethyl-1,3-dioxolan-4-yl)methyl ester (both of which are useful intermediates for the production of ketoconazole) can be produced with good efficiency. An optically active trans-carboxylic acid (2-aryl-2-halomethyl-1,3-dioxolan-4-yl)methyl ester can be isomerized into its cis-form in the presence of an acid catalyst.