5-bromomethyl-2-methoxy-benzoic acid ethyl ester | 423174-80-5

• 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: 5-bromomethyl-2-methoxy-benzoic acid ethyl ester
• 英文别名: 5-Bromomethyl-2-methoxybenzoic acid ethyl ester；ethyl 5-(bromomethyl)-2-methoxybenzoate
• CAS: 423174-80-5
• 化学式: C₁₁H₁₃BrO₃
• 分子量: 273.126
• InChiKey: BUPHWDPLYUEXFS-UHFFFAOYSA-N

物化性质

• 沸点：
  350.9±32.0 °C(Predicted)
• 密度：
  1.384±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 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：

  5-bromomethyl-2-methoxy-benzoic acid ethyl ester 、 1-(2-[1,4]dioxan-2-yl-ethyl)-3-piperidin-4-yl-1H-indole 以0.019 g (65% of yield)的产率得到5-{4-[1-(2-[1,4]dioxan-2-yl-ethyl)-1H-indol-3-yl]-piperidin-1-ylmethyl}-2-methoxy-benzoic Acid
  参考文献：
  名称：

  Indolylpiperidine derivatives as antihistaminic aand antiallergic agents

  摘要：

  本发明涉及公式（I）的吲哚基哌啶衍生物，其中：A1代表烷基，烷氧基，烷硫基，酰基烷基或羟基烷基；A2代表烷基，烷氧基，烷硫基，酰基烷基或烷氧基烷基；W1代表苯基，呋喃基或吡啶基，该基未取代或取代一个或多个卤素原子，烷氧基和/或烷基；W2代表3-10个成员的单环或双环基团，含有1-3个杂原子，该基团未取代或取代一个或多个卤素原子，烷基，烷氧基和/或羰基基团；R1代表氢或卤素原子或烷基，烷氧基或甲基氨基基团；R2代表羧基；以及其药学上可接受的盐；以及用于它们的制备过程，含有它们的制药组合物，以及它们作为抗组胺和抗过敏剂的医药用途。

  公开号：

  US20040116471A1

文献信息

• [EN] AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS<br/>[FR] DERIVES D'AZAINDOLYLPIPERIDINE COMME AGENTS ANTIHISTAMINIQUES ET ANTIALLERGIQUES
  申请人：ALMIRALL PRODESFARMA SA

  公开号：WO2003082867A1

  公开（公告）日：2003-10-09

  This invention is directed to new potent and selective antagonists of H1 histamine receptors having the general formula (I) to processes for their preparation; to pharmaceutical compositions comprising them; and to their use in therapy.

  这项发明涉及新型H1组胺受体的高效选择性拮抗剂，其具有一般式(I)，以及它们的制备方法；包含它们的药物组合物；以及它们在治疗中的应用。
• [EN] NEW INDOLYLPIPERIDINE DERIVATIVES AS POTENT ANTIHISTAMINIC AND ANTIALLERGIC AGENTS<br/>[FR] NOUVEAUX DERIVES D'INDOLYLPIPERIDINE UTILISES EN TANT QU'ANTIHISTAMINIQUES ET AGENTS ANTIALLERGIQUES PUISSANTS
  申请人：ALMIRALL PRODESFARMA SA

  公开号：WO2003099807A1

  公开（公告）日：2003-12-04

  This invention is directed to new potent and selective antagonists of H1 histamine receptors having the general formula (I) to processes for their preparation; to pharmaceutical compositions comprising them; and to their use in therapy as antiallergic agents.

  这项发明涉及新型H1组胺受体的高效选择性拮抗剂，其具有一般式(I)，以及它们的制备方法；包括它们的药物组合物；以及它们作为抗过敏药物在治疗中的应用。
• New indolylpiperidine derivatives as potent antihistaminic and antiallergic agents
  申请人：Fonquerna Pou Silvia

  公开号：US20060094879A1

  公开（公告）日：2006-05-04

  This invention is directed to new potent and selective antagonists of H 1 histamine receptors having the general formula I to processes for their preparation; to pharmaceutical compositions comprising them; and to their use in therapy as antiallergic agents.

  本发明涉及一种新的，具有一般式的H1组胺受体拮抗剂，该拮抗剂具有高效和选择性，以及制备它们的方法；包含它们的制药组合物；以及将它们用作抗过敏剂的治疗。
• Azaindolylpiperidine derivatives as antihistaminic and antiallergic agents
  申请人：Pou Fonquerna Silvia

  公开号：US20050176751A1

  公开（公告）日：2005-08-11

  This invention is directed to selective antagonists of H 1 histamine receptors having the general formula (I); to processes for their preparation; to pharmaceutical compositions comprising them; and to their use in therapy.

  本发明涉及具有一般式（I）的选择性H1组胺受体拮抗剂，其制备过程，包含它们的药物组合物以及它们在治疗中的使用。
• Indolylpiperidine derivatives as antihistaminic and antiallergic agents
  申请人：Almirall Prodesfarma S.A.

  公开号：US07189741B2

  公开（公告）日：2007-03-13

  The invention relates to indolyl piperidinyl derivatives of formula (I) wherein: A1 represents an alkylene, alkyleneoxy, alkylenethio, alkanoylene or hydroxyalkylene group; A2 represents an alkylene, alkyleneoxy, alkylenethio, alkanoylene or an alkyleneoxyalkylene group; W1 represents a phenylene, furanylene or pyridinylene group which is unsubstituted or substituted by one or more halogen atoms, alkoxy groups and/or alkyl groups; W2 represents a 3–10 membered monocyclic or bicyclic group containing from 1 to 3 heteroatoms said group being unsubstituted or substituted by one or more halogen atoms, alkyl groups, alkoxy groups and/or oxo groups; R1 represents a hydrogen or halogen atom or an alkyl, alkoxy or methylamino group; and R2 represents a carboxyl group; and pharmaceutically acceptable salts thereof; to processes for their preparation; to pharmaceutical compositions containing them; and to their medical use as antihistaminic and antiallergic agents.

  本发明涉及式（I）的吲哚基哌啶衍生物，其中：A1代表烷基，烷氧基，烷硫基，酰基烷基或羟基烷基；A2代表烷基，烷氧基，烷硫基，酰基烷基或烷氧基烷基；W1代表苯基，呋喃基或吡啶基，其未取代或被一个或多个卤素原子，烷氧基和/或烷基取代；W2代表一个含1-3个杂原子的3-10环的单环或双环基团，其未取代或被一个或多个卤素原子，烷基，烷氧基和/或氧代基取代；R1代表氢或卤素原子或烷基，烷氧基或甲基氨基基团；R2代表羧基；以及其药学上可接受的盐；本发明还涉及制备它们的过程，含有它们的制药组合物以及它们作为抗组胺和抗过敏剂的医药用途。