1-(3-氨基苯并[b]噻吩-2-基)-乙酮 | 34263-61-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 中文名称: 1-(3-氨基苯并[b]噻吩-2-基)-乙酮
• 英文名称: 2-acetyl-3-aminobenzothiophen
• 英文别名: 1-(3-amino-benzo[b]thiophen-2-yl)-ethanone；1-(3-Aminobenzo[B]thiophen-2-YL)ethanone；1-(3-amino-1-benzothiophen-2-yl)ethanone
• CAS: 34263-61-1
• 化学式: C₁₀H₉NOS
• mdl: MFCD01566404
• 分子量: 191.254
• InChiKey: BAJXNWBVSDWHSY-UHFFFAOYSA-N

物化性质

• 沸点：
  369.0±22.0 °C(Predicted)
• 密度：
  1.302±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  71.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  1-(3-氨基苯并[b]噻吩-2-基)-乙酮 在 盐酸 、 sodium nitrate 、 PPA 、 硫酸 、 盐酸羟胺 、 copper(I) thiocyanate 、 sodium acetate 、 sodium nitrite 作用下， 以 乙醇 为溶剂， 反应 5.17h， 生成 3-methyl-5-nitro-[1]benzothiolo[2,3-d][1,2]thiazole
  参考文献：
  名称：

  Clarke, Kenneth; Fox, William Richard; Scrowston, Richard M., Journal of Chemical Research, Miniprint, 1980, # 2, p. 833 - 847

  摘要：

  DOI：
• 作为产物：
  描述：

  2-硝基苯甲腈 在 aluminum (III) chloride 、 potassium carbonate 、 potassium hydroxide 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 、 甲苯 为溶剂， 反应 55.5h， 生成 1-(3-氨基苯并[b]噻吩-2-基)-乙酮
  参考文献：
  名称：

  黄嘌呤衍生物、其制备方法及用途

  摘要：

  本发明涉及一类黄嘌呤衍生物、其药学上可接受的盐、所述衍生物的溶剂合物、药学上可接受的盐的溶剂合物、其化学保护形式或者前药及其制备方法和用途；还涉及用于制备所述黄嘌呤衍生物的中间体化合物及所述中间体化合物制备方法。所述黄嘌呤衍生物及其药物组合物有效抑制DPP‑lV活性，能够用于制备与二肽基肽酶（DPP‑IV）相关疾病的药物。

  公开号：

  CN103709163B

文献信息

• HCV Protease Inhibitors
  申请人：Shanghai Tangrun Pharmaceuticals, Co., Ltd.

  公开号：US20140163219A1

  公开（公告）日：2014-06-12

  A compound of general formula (I); A is O, S, CH, NH or NR′, when O links with Z 3 , Z 1 is N or CR Z1 , Z 2 is CR Z2 , when Z 1 links with O, Z 2 is CH, Z 3 is C—Ar; Ra, Rb, Rc and Rd independently is H, OH, halogen or —Y 1 —R m ; A 1 is NH or CH 2 ; R 1 ′ is alkyl, aryl, cycloalkyl, heterocycloalkyl or heteroaryl; A 2 is N, O or linking bond; R 1 is hydrogen, or, R 1 linking covalently with R 3 forms C 5 -C 9 saturated or unsaturated hydrocarbon chain substituted by O or N; R 3 is alkyl, cycloalkyl, heterocycloalkyl, alkyl substituted by cycloalkyl etc; R 4 is alkoxy-CO, alkyl-NHCO, (alkyl) 2 NCO, or formyl substituted by aryl, cycloalkyl, heterocycloalkyl.

  通用式(I)的化合物；A为O、S、CH、NH或NR′，当O与Z3连接时，Z1为N或CRZ1，Z2为CRZ2，当Z1与O连接时，Z2为CH，Z3为C—Ar；Ra、Rb、Rc和Rd独立地为H、OH、卤素或—Y1—Rm；A1为NH或CH2；R1′为烷基、芳基、环烷基、杂环烷基或杂芳基；A2为N、O或连接键；R1为氢，或者R1与R3共价连接形成由O或N取代的C5-C9饱和或不饱和碳氢链；R3为烷基、环烷基、杂环烷基、烷基取代的环烷基等；R4为烷氧基-CO、烷基-NHCO、(烷基)2NCO，或者被芳基、环烷基、杂环烷基取代的甲酰基。
• HCV protease inhibitors
  申请人：Zhang Suoming

  公开号：US08969373B2

  公开（公告）日：2015-03-03

  A compound of general formula (I); A is O, S, CH, NH or NR′, when O links with Z3, Z1 is N or CRZ1, Z2 is CRZ2, when Z1 links with O, Z2 is CH, Z3 is C—Ar; Ra, Rb, Rc and Rd independently is H, OH, halogen or —Y1—Rm; A1 is NH or CH2; R1′ is alkyl, aryl, cycloalkyl, heterocycloalkyl or heteroaryl; A2 is N, O or linking bond; R1 is hydrogen, or, R1 linking covalently with R3 forms C5-C9 saturated or unsaturated hydrocarbon chain substituted by O or N; R3 is alkyl, cycloalkyl, heterocycloalkyl, alkyl substituted by cycloalkyl etc; R4 is alkoxy-CO, alkyl-NHCO, (alkyl)2NCO, or formyl substituted by aryl, cycloalkyl, heterocycloalkyl.

  通式（I）的化合物；其中A为O、S、CH、NH或NR′，当O与Z3连接时，Z1为N或CRZ1，Z2为CRZ2，当Z1与O连接时，Z2为CH，Z3为C-Ar；Ra、Rb、Rc和Rd独立地为H、OH、卤素或-Y1-Rm；A1为NH或CH2；R1′为烷基、芳基、环烷基、杂环烷基或杂芳基；A2为N、O或连接键；R1为氢，或R1与R3共价连接形成由O或N取代的C5-C9饱和或不饱和碳氢链；R3为烷基、环烷基、杂环烷基、被环烷基取代的烷基等；R4为烷氧基-CO、烷基-NHCO、（烷基）2NCO或被芳基、环烷基、杂环烷基取代的甲酰基。
• HCV PROTEASE INHIBITORS
  申请人：Shanghai Tangrun Pharmaceuticals, Co., Ltd

  公开号：EP2740734B1

  公开（公告）日：2017-09-06
• Flash vacuum pyrolysis of 2-acetyl-3-azido[1]benzothiophene
  作者：Alexander P. Gaywood、Hamish McNab、Lilian McNab

  DOI：10.24820/ark.5550190.p011.239

  日期：——

  Flash vacuum pyrolysis (FVP) of 2-acetyl-3-azido[1]benzothiophene at 300 degrees C provides 3-methyl[1]benzothieno[3,2-c]isoxazole (72%). At higher temperatures, the heteroindoxyl 1,2-dihydro[1]benzothieno[3,2-b]pyrrol-3-one was obtained in low yield (ca. 10%). The heteroindoxyl exists as a mixture of keto and enol forms in DMSO solution. Because of the easy oxidative dimerisation of these products to indigotin (and its heteroanalogues), such reactions are excellent examples of the synthetic advantages of FVP with the monomeric products conveniently generated under vacuum in a solvent-free, air-free environment.[GRAPHICS].
• Straightforward Synthesis of 2-Acetyl-Substituted Benzo[b]thiophenes
  作者：Julien Debray、Florence Popowycz、Marc Lemaire

  DOI：10.1055/s-0032-1317674

  日期：——

  Described herein is a green one-step protocol for the preparation of substituted 2-acetylbenzo[b]thiophenes from commercially available aromatic halides. This efficient method has the advantage of using water as the reaction medium, resulting in a high yield of pure cyclized products. Two scaffold types have been prepared using this general procedure: 2-acetylbenzo[b]thiophenes and 2-acetyl-3-aminobenzo[b]thiophenes, both crystallized directly from the reaction mixture, due to their low solubility with water, and without the need for an additional purification step.