2-(3-丙-2-基苯氧基)乙酰氯 | 651728-44-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(3-丙-2-基苯氧基)乙酰氯
• 英文名称: 3-isopropylphenoxyacetic acid chloride
• 英文别名: 2-(3-propan-2-ylphenoxy)acetyl chloride
• CAS: 651728-44-8
• 化学式: C₁₁H₁₃ClO₂
• 分子量: 212.676
• InChiKey: XYICRZCOGRZXCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(3-丙-2-基苯氧基)乙酰氯 、 4-氨基丁酸 在 sodium hydroxide 、 碳酸氢钠 、 盐酸 作用下， 以 水 、 乙腈 为溶剂， 反应 5.0h， 以92%的产率得到4-(3-isopropylphenoxyactamido)butyric acid
  参考文献：
  名称：

  [EN] BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR
  [FR] PROMEDICAMENTS DES INHIBITEURS DE LA POMPE A PROTONS

  摘要：

  公开号：

  WO2004009583A3
• 作为产物：
  描述：

  2-(3-丙-2-基苯氧基)乙酸 在 氯化亚砜 作用下， 以 苯 为溶剂， 反应 2.0h， 生成 2-(3-丙-2-基苯氧基)乙酰氯
  参考文献：
  名称：

  [EN] BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR
  [FR] PROMEDICAMENTS DES INHIBITEURS DE LA POMPE A PROTONS

  摘要：

  公开号：

  WO2004009583A3

文献信息

• Prodrugs of proton pump inhibitors
  申请人：——

  公开号：US20040102484A1

  公开（公告）日：2004-05-27

  Prodrugs of proton pump inhibitors of Formulas 1 through 4, 1 where the symbols are as defined in the specification, and the R group includes at least one acidic group or its pharmaceutically acceptable salt, have improved aqueous solubility and bioavailability.

  公式1到4的质子泵抑制剂前药，其中符号如规范中定义，R基包括至少一个酸性基团或其药学上可接受的盐，具有改善的水溶性和生物利用度。
• Prodrugs of proton pump inhibitors background of the invention
  申请人：Garst Michael

  公开号：US20050143423A1

  公开（公告）日：2005-06-30

  Prodrugs of proton pump inhibitors of Formulas 1 through 4, where the symbols are as defined in the specification, and the R group includes at least one acidic group or its pharmaceutically acceptable salt, have improved aqueous solubility and bioavailability.

  公式1至4的质子泵抑制剂前药，其中符号如规范中所定义，R基包括至少一个酸性基团或其药学上可接受的盐，具有改善的水溶性和生物利用度。
• Design, synthesis and structure–activity relationship studies of novel phenoxyacetamide-based free fatty acid receptor 1 agonists for the treatment of type 2 diabetes
  作者：Zheng Li、Xuekun Wang、Xue Xu、Jianyong Yang、Qianqian Qiu、Hao Qiang、Wenlong Huang、Hai Qian

  DOI：10.1016/j.bmc.2015.09.010

  日期：2015.10

  The free fatty acid receptor 1 (FFA1) has attracted extensive attention as a novel antidiabetic target in the last decade. Several FFA1 agonists reported in the literature have been suffered from relatively high molecular weight and lipophilicity. We have previously reported the FFA1 agonist 1. Based on the common amide structural characteristic of SAR1 and NIH screened compound, we here describe the continued structure-activity exploration to decrease the molecular weight and lipophilicity of the compound 1 series by converting various amide linkers. All of these efforts lead to the discovery of the preferable lead compound 18, a compound with considerable agonistic activity, high LE and LLE values, lower lipophilicity than previously reported agonists, and appreciable efficacy on glucose tolerance in both normal and type 2 diabetic mice. (c) 2015 Published by Elsevier Ltd.
• BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR
  申请人：Winston Pharmaceuticals LLC

  公开号：EP1556371A2

  公开（公告）日：2005-07-27
• US6897227B2
  申请人：——

  公开号：US6897227B2

  公开（公告）日：2005-05-24