2-Ethyl-5-chlorobenzo[b]thiophene | 51828-52-5

• 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: 2-Ethyl-5-chlorobenzo[b]thiophene
• 英文别名: 5-Chloro-2-ethyl-1-benzothiophene
• CAS: 51828-52-5
• 化学式: C₁₀H₉ClS
• 分子量: 196.7
• InChiKey: BOTBHDRBMQBRPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-Ethyl-5-chlorobenzo[b]thiophene 在 十六烷基三甲基溴化铵 氢溴酸 、 potassium carbonate 作用下， 以 溶剂黄146 、 甲苯 为溶剂， 反应 54.0h， 生成 2-Ethyl-5-chloro-N-methyl-N-(2,2-dimethoxy)ethyl-3-benzo[b]thiophenylmethylamine
  参考文献：
  名称：

  An Efficient Synthesis of 2-Ethyl-7-chloro-4-methylthieno[4,3,2-e,f][3]benzazepine (SK&F 106686)viaBromomethylation of 2-Ethyl-5-chlorobenzo[b]thiophene

  摘要：

  The synthesis of 2-ethyl-3-bromoethyl-5-chlorobenzo[b]thiophene (6) is described using a unique phase transfer catalyzed bromoethylation of 2-ethyl-5-chlorobenzo[b]thiophene (5). Compound 6 was converted in six steps and in 55% overall yield to the angiotension II antagonist, SK&F 106686 (1).

  DOI：

  10.1080/00397919808004456
• 作为产物：
  描述：

  2-(4-Chlorophenylthio)butyraldehyde dimethyl acetal 在 PPA 作用下， 以 甲苯 为溶剂， 反应 6.0h， 以79%的产率得到2-Ethyl-5-chlorobenzo[b]thiophene
  参考文献：
  名称：

  An Efficient Synthesis of 2-Ethyl-7-chloro-4-methylthieno[4,3,2-e,f][3]benzazepine (SK&F 106686)viaBromomethylation of 2-Ethyl-5-chlorobenzo[b]thiophene

  摘要：

  The synthesis of 2-ethyl-3-bromoethyl-5-chlorobenzo[b]thiophene (6) is described using a unique phase transfer catalyzed bromoethylation of 2-ethyl-5-chlorobenzo[b]thiophene (5). Compound 6 was converted in six steps and in 55% overall yield to the angiotension II antagonist, SK&F 106686 (1).

  DOI：

  10.1080/00397919808004456

文献信息

• PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS
  申请人：Global Blood Therapeutics, Inc.

  公开号：US20150315198A1

  公开（公告）日：2015-11-05

  In one aspect this invention relates generally to compounds of Formula: and sub-formulas thereof, or a tautomer of each thereof, a pharmaceutically acceptable salt of each thereof, or a pharmaceutically acceptable solvate of each of the foregoing, where X 1 , L 1 , L 3 , and R 3 are described herein.

  在一个方面，这项发明通常涉及以下式的化合物： 及其亚式，或每个亚式的重排异构体，每个的药学上可接受的盐，或每个前述的药学上可接受的溶剂，其中X 1 ，L 1 ，L 3 和R 3 如本文所述。
• 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis
  申请人：Tsubouchi Hidetsugu

  公开号：US20080119478A1

  公开（公告）日：2008-05-22

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: (1) in the above formula (1), R1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R1 and —(CH2) n R2 may form a spiro ring represented by the formula (30) below, together with the adjacent carbon atom (in the formula below, RRR represents a piperidyl group which may have substituents on the piperidine ring), (30) and R2 represents a benzothiazolyloxy group, quinolyloxy group, pyridyloxy group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis , multi-drug-resistant Mycobacterium tuberculosis , and atypical acid-fast bacteria.

  本发明提供了一种由下述通式（1）表示的2,3-二氢-6-硝基咪唑[2,1-b]噁唑化合物： 在上述式（1）中，R1代表氢原子或C1-C6烷基，n代表0到6的整数，R1和—(CH2)nR2可以与相邻的碳原子形成如下式（30）所示的螺环，其中，在下式中，RRR代表可能在哌啶环上具有取代基的哌啶基： （30）且R2代表苯并噻唑氧基、喹啉氧基、吡啶氧基或类似基团。该化合物对结核分枝杆菌、多重耐药结核分枝杆菌和非典型酸杆菌具有优异的杀菌作用。
• 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP2570418A2

  公开（公告）日：2013-03-20

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: wherein R1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R2 represents a group -OR3 or the like, and R3 represents a hydrogen atom, C1-C6 alkyl group or the like, or R1 and -(CH2)nR2 may bind to each other together with carbon atoms adjacent thereto through nitrogen atoms so as to form a spiro ring represented by the general formula (H): wherein R41 is hydrogen, C1-C6 alkyl group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria.

  本发明提供了一种由以下通式表示的 2,3-二氢-6-硝基咪唑并[2,1-b]恶唑化合物： 其中R1代表氢原子或C1-C6烷基，n代表0至6的整数，R2代表基团-OR3或类似基团，R3代表氢原子、C1-C6烷基或类似基团，或者R1和-(CH2)nR2可以通过氮原子与相邻的碳原子相互结合，从而形成通式(H)代表的螺环： 其中 R41 为氢、C1-C6 烷基或类似基团。本化合物对结核分枝杆菌、多重耐药结核分枝杆菌和非典型耐酸菌有很好的杀菌作用。
• 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP1678185B1

  公开（公告）日：2008-10-08
• US7262212B2
  申请人：——

  公开号：US7262212B2

  公开（公告）日：2007-08-28