(2R)-1-(p-toluenesulphonyloxy)-4-(4-chlorophenyl)butan-2-ol | 151837-95-5

• 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: (2R)-1-(p-toluenesulphonyloxy)-4-(4-chlorophenyl)butan-2-ol
• 英文别名: [(2R)-4-(4-chlorophenyl)-2-hydroxybutyl] 4-methylbenzenesulfonate
• CAS: 151837-95-5
• 化学式: C₁₇H₁₉ClO₄S
• 分子量: 354.854
• InChiKey: PWGKZRTXZLLGAW-MRXNPFEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  72
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2R)-1-(p-toluenesulphonyloxy)-4-(4-chlorophenyl)butan-2-ol 在 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 25.5h， 生成 Methanesulfonic acid (R)-3-(4-chloro-phenyl)-1-imidazol-1-ylmethyl-propyl ester
  参考文献：
  名称：

  The synthesis and antifungal activity of the enantiomers of butoconazole nitrate

  摘要：

  The S and R enantiomers 2 and 3 of the antifungal agent butoconazole nitrate have been prepared in optically pure form, in three steps, from R- and S-glycidyl tosylates 4 and 5 respectively. No significant difference was found in the in vitro activity of butoconazole and its enantiomers versus Candida albicans.

  DOI：

  10.1016/s0957-4166(00)80353-5
• 作为产物：
  描述：

  (R)-对甲苯磺酸缩水甘油酯 、 4-chlorobenzylmagnesium chloride 在 dilithium tetrachlorocuprate 作用下， 生成 (2R)-1-(p-toluenesulphonyloxy)-4-(4-chlorophenyl)butan-2-ol
  参考文献：
  名称：

  The synthesis and antifungal activity of the enantiomers of butoconazole nitrate

  摘要：

  The S and R enantiomers 2 and 3 of the antifungal agent butoconazole nitrate have been prepared in optically pure form, in three steps, from R- and S-glycidyl tosylates 4 and 5 respectively. No significant difference was found in the in vitro activity of butoconazole and its enantiomers versus Candida albicans.

  DOI：

  10.1016/s0957-4166(00)80353-5

文献信息

• The synthesis and antifungal activity of the enantiomers of butoconazole nitrate
  作者：David M. Rotstein、Keith A.M. Walker

  DOI：10.1016/s0957-4166(00)80353-5

  日期：1993.7

  The S and R enantiomers 2 and 3 of the antifungal agent butoconazole nitrate have been prepared in optically pure form, in three steps, from R- and S-glycidyl tosylates 4 and 5 respectively. No significant difference was found in the in vitro activity of butoconazole and its enantiomers versus Candida albicans.