4-(2-溴乙氧基)-3-氯苯甲酸甲酯 | 205106-54-3

• 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: 4-(2-溴乙氧基)-3-氯苯甲酸甲酯
• 英文名称: 4-(2-bromo-ethoxy)-3-chloro-benzoic acid methyl ester
• 英文别名: Methyl 4-(2-bromoethoxy)-3-chlorobenzoate
• CAS: 205106-54-3
• 化学式: C₁₀H₁₀BrClO₃
• mdl: MFCD20502028
• 分子量: 293.545
• InChiKey: KCXJTYFMIJPMIC-UHFFFAOYSA-N

物化性质

• 沸点：
  368.4±32.0 °C(Predicted)
• 密度：
  1.521±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 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：

  4-(2-溴乙氧基)-3-氯苯甲酸甲酯 在 氢氧化钾 、 18-冠醚-6 作用下， 以 乙醇 、 苯 为溶剂， 反应 1.5h， 生成 1-[2-(4-Carboxy-2-chloro-phenoxy)-ethyl]-3-dodecanoyl-1H-indole-2-carboxylic acid
  参考文献：
  名称：

  Novel 3-dodecanoylindole-2-carboxylic acid inhibitors of cytosolic phospholipase A2

  摘要：

  Derivatives of 1-[2-(4-carboxyphenoxy)ethyl]-3-dodecanoylindole-2-carboxylic acid (4) with modified substituents at the indole-1-position were synthesized and evaluated for their ability to inhibit the arachidonic acid release in human platelets mediated by the cytosolic phospholipase A(2). One of the most active compounds obtained was 26 with an IC50 of 0.44 muM. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00472-3
• 作为产物：
  描述：

  3-氯-4-羟基苯甲酸甲酯 、 1,2-二溴乙烷 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成 4-(2-溴乙氧基)-3-氯苯甲酸甲酯
  参考文献：
  名称：

  Novel 3-dodecanoylindole-2-carboxylic acid inhibitors of cytosolic phospholipase A2

  摘要：

  Derivatives of 1-[2-(4-carboxyphenoxy)ethyl]-3-dodecanoylindole-2-carboxylic acid (4) with modified substituents at the indole-1-position were synthesized and evaluated for their ability to inhibit the arachidonic acid release in human platelets mediated by the cytosolic phospholipase A(2). One of the most active compounds obtained was 26 with an IC50 of 0.44 muM. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00472-3

文献信息

• Substituted aryloximes
  申请人：Havran Marie Lisa

  公开号：US20050070584A1

  公开（公告）日：2005-03-31

  The present invention relates to substituted aryl oximes and methods of using them.

  本发明涉及取代的芳香基氧化亚氮及其使用方法。
• Substituted benzofuran oximes
  申请人：Havran Marie Lisa

  公开号：US20050215626A1

  公开（公告）日：2005-09-29

  The present invention relates to substituted benzofuran oximes and methods of using them.

  本发明涉及取代苯并呋喃肟及其使用方法。
• SUBSTITUTED ARYL OXIMES
  申请人：Havran Lisa Marie

  公开号：US20080293790A1

  公开（公告）日：2008-11-27

  The present invention relates to substituted aryl oximes and methods of using them.

  本发明涉及取代芳基肟及其使用方法。
• 4-(PHENYL-ETHYLIDENEAMINOXY-PROPOXY)-PHENYL-ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIREMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBISIS
  申请人：Wyeth

  公开号：EP1663189A1

  公开（公告）日：2006-06-07
• 4-(1-BENZOFURAN-3-YL-METHYLIDENEAMINOXY-PROPOXY)-BENZOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIREMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBISIS
  申请人：Wyeth

  公开号：EP1667676A1

  公开（公告）日：2006-06-14