3-[2-(1-benzothiophen-5-yl)ethoxy]propiononitrile | 519188-43-3

• 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: 3-[2-(1-benzothiophen-5-yl)ethoxy]propiononitrile
• 英文别名: 3-[2-(1-benzothiophen-5-yl)ethoxy]propanenitrile
• CAS: 519188-43-3
• 化学式: C₁₃H₁₃NOS
• 分子量: 231.318
• InChiKey: SEBQGQAMCAULQO-UHFFFAOYSA-N

物化性质

• 沸点：
  414.0±25.0 °C(Predicted)
• 密度：
  1.185±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  61.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-[2-(1-benzothiophen-5-yl)ethoxy]propiononitrile 在 盐酸 、 硫酸 、 水 、 potassium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 7.5h， 生成 3-(2-(1-benzothiophen-5-yl)ethoxy)propionic acid
  参考文献：
  名称：

  JP6004307

  摘要：

  公开号：
• 作为产物：
  描述：

  丙烯腈 在 potassium tert-butylate 作用下， 以 异丙醇 、 甲苯 为溶剂， 反应 1.5h， 生成 3-[2-(1-benzothiophen-5-yl)ethoxy]propiononitrile
  参考文献：
  名称：

  EP1864978

  摘要：

  公开号：

文献信息

• Alkyl ether derivatives or salts thereof
  申请人：Saitoh Akihito

  公开号：US20060194781A1

  公开（公告）日：2006-08-31

  An alkyl ether derivative represented by the general formula: wherein each of R 1 and R 2 represents one or more groups selected from a hydrogen atom, a halogen atom, an alkyl group, an aryl group, an aralkyl group, an alkoxy group, an aryloxy group, an alkylthio group, an arylthio group, an alkenyl group, an alkenyloxy group, an amino group, an alkylsulfonyl group, an arylsulfonyl group, a carbamoyl group, a heterocyclic group, a hydroxyl group, a carboxyl group, a nitro group, an oxo group and the like; R 3 is an alkylamino group, an amino group, a hydroxyl group or the like; the ring A is a 5-membered or 6-membered heteroaromatic ring or a benzene ring; each of m and n is an integer of 1 to 6; and p is an integer of 1 to 3, or its salt has activity to protect neurons, activity to accelerate nerve regeneration and activity to accelerate neurite extension and hence is useful as a therapeutic agent for diseases in central and peripheral nerves.

  一种烷基醚衍生物，其通式表示为：其中R1和R2各自表示氢原子、卤素原子、烷基、芳基、芳基烷基、烷氧基、芳氧基、烷硫基、芳硫基、烯基、烯氧基、氨基、烷基磺酰基、芳基磺酰基、氨基甲酰基、杂环基、羟基、羧基、硝基、氧代基等一种或多种基团；R3是烷基氨基、氨基、羟基等一种或多种基团；环A是5元或6元杂芳环或苯环；m和n各自是1到6的整数；p是1到3的整数，或其盐具有保护神经元、加速神经再生和加速神经突起延伸的活性，因此可用作治疗中枢和外周神经疾病的治疗剂。
• 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：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。