4-(4-Chlorophenyl)butyl methanesulfonate | 81785-57-1

• 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: 4-(4-Chlorophenyl)butyl methanesulfonate
• CAS: 81785-57-1
• 化学式: C₁₁H₁₅ClO₃S
• 分子量: 262.757
• InChiKey: OAMIOTKLDHFJKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4-Chlorophenyl)butyl methanesulfonate 、 丙二酸二乙酯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 生成 Diethyl 2-[4-(4-chlorophenyl)butyl]propanedioate
  参考文献：
  名称：

  Discovery of a highly orally bioavailable c-5-[6-(4-Methanesulfonyloxyphenyl)hexyl]-2-methyl-1,3-dioxane-r-2-carboxylic acid as a potent hypoglycemic and hypolipidemic agent

  摘要：

  A series of novel 1,3-dioxane-2-carboxylic acid derivatives containing alkyl chain tether and substituted phenyl group as a lipophilic tail have been prepared as agonists of PPAR alpha and gamma. c-5-[6-(4-Methanesulfonyloxyphenyl) hexyl]-2-methyl-1,3-dioxane-r-2-carboxylic acid 13c exhibited potent hypoglycemic and lipid lowering activity with high oral bioavailability in animal models. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.112
• 作为产物：
  描述：

  4-chlorobenzenebutanol 、 甲基磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 4-(4-Chlorophenyl)butyl methanesulfonate
  参考文献：
  名称：

  Discovery of a highly orally bioavailable c-5-[6-(4-Methanesulfonyloxyphenyl)hexyl]-2-methyl-1,3-dioxane-r-2-carboxylic acid as a potent hypoglycemic and hypolipidemic agent

  摘要：

  A series of novel 1,3-dioxane-2-carboxylic acid derivatives containing alkyl chain tether and substituted phenyl group as a lipophilic tail have been prepared as agonists of PPAR alpha and gamma. c-5-[6-(4-Methanesulfonyloxyphenyl) hexyl]-2-methyl-1,3-dioxane-r-2-carboxylic acid 13c exhibited potent hypoglycemic and lipid lowering activity with high oral bioavailability in animal models. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.112

文献信息

• US4363805A
  申请人：——

  公开号：US4363805A

  公开（公告）日：1982-12-14
• Discovery of a highly orally bioavailable c-5-[6-(4-Methanesulfonyloxyphenyl)hexyl]-2-methyl-1,3-dioxane-r-2-carboxylic acid as a potent hypoglycemic and hypolipidemic agent
  作者：Harikishore Pingali、Mukul Jain、Shailesh Shah、Sujay Basu、Pankaj Makadia、Amitgiri Goswami、Pandurang Zaware、Pravin Patil、Atul Godha、Suresh Giri、Ashish Goel、Megha Patel、Harilal Patel、Pankaj Patel

  DOI：10.1016/j.bmcl.2008.08.112

  日期：2008.10

  A series of novel 1,3-dioxane-2-carboxylic acid derivatives containing alkyl chain tether and substituted phenyl group as a lipophilic tail have been prepared as agonists of PPAR alpha and gamma. c-5-[6-(4-Methanesulfonyloxyphenyl) hexyl]-2-methyl-1,3-dioxane-r-2-carboxylic acid 13c exhibited potent hypoglycemic and lipid lowering activity with high oral bioavailability in animal models. (C) 2008 Elsevier Ltd. All rights reserved.