7-[(1S)-3-Chloro-1-phenylpropyl]oxy-1-benzothiophene | 476199-34-5

• 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: 7-[(1S)-3-Chloro-1-phenylpropyl]oxy-1-benzothiophene
• 英文别名: 7-[(1S)-3-chloro-1-phenylpropoxy]-1-benzothiophene
• CAS: 476199-34-5
• 化学式: C₁₇H₁₅ClOS
• 分子量: 302.824
• InChiKey: CUYBQASOBHTRCD-HNNXBMFYSA-N

物化性质

• 沸点：
  453.9±30.0 °C(Predicted)
• 密度：
  1.246±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  37.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  甲胺 、 7-[(1S)-3-Chloro-1-phenylpropyl]oxy-1-benzothiophene 以 乙醇 、 水 为溶剂， 以66%的产率得到(3S)-3-(1-benzothiophen-7-yloxy)-N-methyl-3-phenylpropan-1-amine
  参考文献：
  名称：

  Benzothienyloxy phenylpropanamines, novel dual inhibitors of serotonin and norepinephrine reuptake

  摘要：

  A series of benzothienyloxy propylamines have been prepared and are demonstrated to be inhibitors of both serotonin and norepinephrine reuptake. (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2004.08.005
• 作为产物：
  描述：

  2-甲氧基苯硫酚 在 (4,4-dimethyl-1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-Ph₃P⁺ 、 三溴化硼 、 potassium carbonate 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 7-[(1S)-3-Chloro-1-phenylpropyl]oxy-1-benzothiophene
  参考文献：
  名称：

  Benzothienyloxy phenylpropanamines, novel dual inhibitors of serotonin and norepinephrine reuptake

  摘要：

  A series of benzothienyloxy propylamines have been prepared and are demonstrated to be inhibitors of both serotonin and norepinephrine reuptake. (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2004.08.005

文献信息

• Heteroaryloxy 3-substituted propanamines s serotonin and norepinephrine reuptake inhibitors
  申请人：——

  公开号：US20040176435A1

  公开（公告）日：2004-09-09

  There is provided a heretoaryloxy 3-substituted propanamine compound of formula (I): wherein A is selected from —O— and —S—; X is selected from phenyl optionally substituted with up to 5 substituents selected from halo, C 1 -C 4 alkyl and C 1 -C 4 alkoxy, and thienyl optionally substituted with up to 3 substituents selected from halo and C 1 -C 4 alkyl; Y is selected from benzothienyl, indolyl and benzofuranyl, optionally substituted with up to 5 substituents selected from halo, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, nitro, acetyl and cyano; and when Y is indolyl it may be substituted or further substituted by an N-substituent selected from C 1 -C 4 alkyl; R 1 and R 2 are each independently H or C 1 -C 4 alkyl; and pharmaceutically acceptable salts thereof. 1

  提供了一个式为（I）的3-取代丙胺基偶氧基化合物： 其中，A选择自—O—和—S—; X选择自苯基，可选地取代有高达5个卤素、C1-C4烷基和C1-C4烷氧基，和噻吩基，可选地取代有高达3个卤素和C1-C4烷基; Y选择自苯并噻吩基、吲哚基和苯并呋喃基，可选地取代有高达5个卤素、C1-C4烷基、C1-C4烷氧基、硝基、乙酰基和氰基; 当Y为吲哚基时，它可以被C1-C4烷基的N-取代基替代或进一步取代; R1和R2各自独立地为H或C1-C4烷基;以及其药学上可接受的盐。
• Heteroaryloxy 3-substituted propanamines as serotonin and norepinephrine reuptake inhibitors
  申请人：Eli Lilly and Company

  公开号：US07037932B2

  公开（公告）日：2006-05-02

  There is provided a heretoaryloxy 3-substituted propanamine compound of formula (I): wherein A is selected from —O— and —S—; X is selected from phenyl optionally substituted with up to 5 substituents selected from halo, C1–C4 alkyl and C1–C4 alkoxy, and thienyl optionally substituted with up to 3 substituents selected from halo and C1–C4 alkyl; Y is selected from benzothienyl, indolyl and benzofuranyl, optionally substituted with up to 5 substituents selected from halo, C1–C4 alkyl, C1–C4 alkoxy, nitro, acetyl and cyano; and when Y is indolyl it may be substituted or further substituted by an N-substituent selected from C1–C4 alkyl; R1 and R2 are each independently H or C1–C4 alkyl; and pharmaceutically acceptable salts thereof.

  提供了一种公式（I）的取代了3-丙胺基的芳氧烷基化合物，其中A选自-O-和-S-; X选自苯基，可选地取代最多5个卤素，C1-C4烷基和C1-C4烷氧基，和噻吩基，可选地取代最多3个卤素和C1-C4烷基; Y选自苯并噻吩基，吲哚基和苯并呋喃基，可选地取代最多5个卤素，C1-C4烷基，C1-C4烷氧基，硝基，乙酰基和氰基; 当Y为吲哚基时，它可以被一个选自C1-C4烷基的N-取代基所取代或进一步取代; R1和R2各自独立地选自H或C1-C4烷基;以及其药学上可接受的盐。
• HETEROARYLOXY 3-SUBSTITUTED PROPANAMINES S SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS
  申请人：ELI LILLY AND COMPANY

  公开号：EP1397129B1

  公开（公告）日：2005-11-16
• US7037932B2
  申请人：——

  公开号：US7037932B2

  公开（公告）日：2006-05-02
• Benzothienyloxy phenylpropanamines, novel dual inhibitors of serotonin and norepinephrine reuptake
  作者：J.R. Boot、G. Brace、C.L. Delatour、N. Dezutter、J. Fairhurst、J. Findlay、P.T. Gallagher、I. Hoes、S. Mahadevan、S.N. Mitchell、R.E. Rathmell、S.J. Richards、R.G. Simmonds、L. Wallace、M.A. Whatton

  DOI：10.1016/j.bmcl.2004.08.005

  日期：2004.11

  A series of benzothienyloxy propylamines have been prepared and are demonstrated to be inhibitors of both serotonin and norepinephrine reuptake. (C) 2004 Published by Elsevier Ltd.