2-(1-benzothiophen-5-yl)malonic acid | 911472-11-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 2-(1-benzothiophen-5-yl)malonic acid
• 英文别名: 2-(1-benzothiophen-5-yl)propanedioic acid
• CAS: 911472-11-2
• 化学式: C₁₁H₈O₄S
• 分子量: 236.248
• InChiKey: JOPUROLHLAILLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(1-benzothiophen-5-yl)malonic acid 在 对甲苯磺酸 作用下， 以 xylene 为溶剂， 反应 1.0h， 生成 benzothiophene-5-acetic acid
  参考文献：
  名称：

  EP1864978

  摘要：

  公开号：
• 作为产物：
  描述：

  di(tert-butyl) 2-(1-benzothiophen-5-yl)malonate 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 1.0h， 生成 2-(1-benzothiophen-5-yl)malonic acid
  参考文献：
  名称：

  EP1864978

  摘要：

  公开号：

文献信息

• PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)-ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF
  申请人：Saitoh Akihito

  公开号：US20090069576A1

  公开（公告）日：2009-03-12

  A Process for production of 1-(3-(2-(1-benzothiophen-5-yl)ethoxy)propyl)azetidin-3-ol or salts thereof which comprises using as a starting compound as a (phenylthio)acetic acid derivative or salts thereof represented by the general formula: wherein X 1 represents a halogen atom, is useful as a safe process for mass production of 1-(3-(2-(1-benzothiophen-5-yl)ethoxy)propyl)azetidin-3-ol or salts thereof which is useful as a remedy for disease of central and peripheral nerve.

  一种生产1-(3-(2-(1-苯并噻吩-5-基)乙氧基)丙基)氮杂环己烷-3-醇或其盐的工艺，其中使用作为起始化合物的(苯硫)乙酸衍生物或其盐，其通式表示为：其中X1表示卤素原子，此工艺适用于安全地大规模生产1-(3-(2-(1-苯并噻吩-5-基)乙氧基)丙基)氮杂环己烷-3-醇或其盐，该化合物可用于治疗中枢和周围神经疾病。
• Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol or salts thereof
  申请人：Toyama Chemical Co., Ltd.

  公开号：US07951963B2

  公开（公告）日：2011-05-31

  A Process for production of 1-(3-(2-(1-benzothiophen-5-yl)ethoxy)propyl)azetidin-3-ol or salts thereof which comprises using as a starting compound as a (phenylthio)acetic acid derivative or salts thereof represented by the general formula: wherein X1 represents a halogen atom, is useful as a safe process for mass production of 1-(3-(2-(1-benzothiophen-5-yl)ethoxy)propyl)azetidin-3-ol or salts thereof which is useful as a remedy for disease of central and peripheral nerve.

  一种用于生产1-(3-(2-(1-苯并噻吩-5-基)乙氧基)丙基)氮杂环己烷-3-醇或其盐的方法，其包括使用作为起始化合物的(苯硫)乙酸衍生物或其盐，其表示为以下通式：其中X1表示卤素原子，该方法是一种安全的大规模生产1-(3-(2-(1-苯并噻吩-5-基)乙氧基)丙基)氮杂环己烷-3-醇或其盐的方法，该方法对于中枢和周围神经疾病的治疗是有用的。
• PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)- ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF
  申请人：SAITOH Akihito

  公开号：US20110098484A1

  公开（公告）日：2011-04-28

  A Process for production of 1-(3-(2-(1-benzothiophen-5-yl)ethoxy)propyl)azetidin-3-ol or salts thereof which comprises using as a starting compound as a (phenylthio)acetic acid derivative or salts thereof represented by the general formula: wherein X 1 represents a halogen atom, is useful as a safe process for mass production of 1-(3-(2-(1-benzothiophen-5-yl)ethoxy)propyl)azetidin-3-ol or salts thereof which is useful as a remedy for disease of central and peripheral nerve.

  一种生产1-(3-(2-(1-苯并噻吩-5-基)乙氧基)丙基)氮杂环己醇或其盐的工艺，其包括使用作为起始化合物的(苯硫)乙酸衍生物或其盐，所述衍生物由下式表示：其中X1表示卤素原子，该工艺适用于安全批量生产1-(3-(2-(1-苯并噻吩-5-基)乙氧基)丙基)氮杂环己醇或其盐，该化合物可用作中枢和周围神经疾病的治疗药物。
• Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propionic acid and 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol as well as salts thereof
  申请人：TOYAMA CHEMICAL CO., LTD.

  公开号：EP2210884A2

  公开（公告）日：2010-07-28

  A Process for production of 1-(3-(2-(1-benzothiophen-5-yl)ethoxy)propyl)azetidin-3-ol or salts thereof which comprises using as intermediate a propionic acid ester derivative represented by the general formula (2): wherein R1 represents a hydrogen atom or an unsubstituted or substituted alkyl, cycloalkyl or aryl group, The claimed process is useful for safe mass production of 1-(3-(2-(1- benzothiophen-5-yl)ethoxy)propyl)azetidin-3-ol or salts thereof which is useful as a remedy for disease of central and peripheral nerve.

  一种生产 1-(3-(2-(1-苯并噻吩-5-基)乙氧基)丙基)氮杂环丁烷-3-醇或其盐的工艺，该工艺包括使用通式 (2) 所代表的丙酸酯衍生物作为中间体： 其中 R1 代表氢原子或未取代或取代的烷基、环烷基或芳基、 所要求的工艺可用于安全地大量生产 1-(3-(2-(1-苯并噻吩-5-基)乙氧基)丙基)氮杂环丁烷-3-醇或其盐类，该产品可用于治疗中枢神经和周围神经疾病。
• Alkyl-3-[2-(benzo[b]thiophen-5-yl)-ethoxy]-propanoates as intermediates in the production of Azetidin-3-ol derivatives
  申请人：TOYAMA CHEMICAL CO., LTD.

  公开号：EP2248809A1

  公开（公告）日：2010-11-10

  A propionic acid ester derivative represented by the general formula: wherein R1 represents a hydrogen atom or an unsubstituted or substituted alkyl, cycloalkyl or aryl group. The claimed compounds are used as intermediates in the production of 1-(3-[2-benzo[b]thiophen-5-yl-ethoxy]-propyl)-azetidin-3-ol having therapeutic activity against central nervous system and peripheral nerve diseases.

  由通式表示的丙酸酯衍生物： 其中 R1 代表氢原子或未取代或取代的烷基、环烷基或芳基。所述化合物可用作生产 1-(3-[2-苯并[b]噻吩-5-基-乙氧基]-丙基)-氮杂环丁烷-3-醇的中间体，该化合物对中枢神经系统和周围神经疾病具有治疗活性。