1-(benzo[b]thiophen-2-yl)propan-1-one | 19492-97-8

• 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: 1-(benzo[b]thiophen-2-yl)propan-1-one
• 英文别名: 1-(1-benzothiophen-2-yl)propan-1-one
• CAS: 19492-97-8
• 化学式: C₁₁H₁₀OS
• 分子量: 190.266
• InChiKey: SCPHYUQOXNARBA-UHFFFAOYSA-N

物化性质

• 熔点：
  83 °C
• 沸点：
  317.5±15.0 °C(Predicted)
• 密度：
  1.181±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(benzo[b]thiophen-2-yl)propan-1-one 在 臭氧 、 2-(Phenylsulfonyl)-3-phenyloxaziridin 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 (2R)-1-(1-Benzothiophen-2-yl)-2-hydroxypropan-1-one
  参考文献：
  名称：

  2-ETHYLAMINE SUBSTITUTED BENZOFURAN AND BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT

  摘要：

  Pharmaceutically active 2-ethylamine substituted benzofuran and benzothiophene compositions are provided for the treatment of mental disorders or for mental enhancement, including for entactogenic therapy. The present invention also includes 2-ethylamine substituted benzofuran and benzothiophene compounds, compositions, and methods for generally modulating central nervous system activity and treating central nervous system disorders.

  公开号：

  WO2024108179A2
• 作为产物：
  描述：

  苯并噻吩-2-羧酸 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 1-(benzo[b]thiophen-2-yl)propan-1-one
  参考文献：
  名称：

  2-ETHYLAMINE SUBSTITUTED BENZOFURAN AND BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT

  摘要：

  Pharmaceutically active 2-ethylamine substituted benzofuran and benzothiophene compositions are provided for the treatment of mental disorders or for mental enhancement, including for entactogenic therapy. The present invention also includes 2-ethylamine substituted benzofuran and benzothiophene compounds, compositions, and methods for generally modulating central nervous system activity and treating central nervous system disorders.

  公开号：

  WO2024108179A2

文献信息

• Photoredox/nickel-catalyzed hydroacylation of ethylene with aromatic acids
  作者：Lili Zhang、Shuai Chen、Hengchi He、Weipeng Li、Chengjian Zhu、Jin Xie

  DOI：10.1039/d1cc04188f

  日期：——

  We report a general, practical and scalable hydroacylation reaction of ethylene with aromatic carboxylic acids with the synergistic combination of nickel and photoredox catalysis. Under ambient temperature and pressure, feedstock chemicals such as ethylene can be converted into high-value-added aromatic ketones in moderate to good yields (up to 92%) with reaction time of 2–6 hours.

  我们报告了乙烯与芳香族羧酸在镍和光氧化还原催化的协同组合下的通用、实用和可扩展的加氢酰化反应。在环境温度和压力下，原料化学品，如乙烯可在中等至良好的产率（高达92％），用2反应时间被转化成高附加值的芳香族酮- 6小时。
• [EN] PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE PYRAZOLOPYRIMIDINE COMME INHIBITEURS DE BTK POUR LE TRAITEMENT DU CANCER
  申请人：REDX PHARMA PLC

  公开号：WO2017046604A1

  公开（公告）日：2017-03-23

  This invention relates to novel compounds. The compounds of the invention are tyrosine kinase inhibitors. Specifically, the compounds of the invention are useful as inhibitors of Bruton's tyrosine kinase (BTK). The invention also contemplates the use of the compounds for treating conditions treatable by the inhibition of Bruton's tyrosine kinase, for example cancer, lymphoma, leukemia and immunological diseases.

  这项发明涉及新颖的化合物。该发明的化合物是酪氨酸激酶抑制剂。具体来说，该发明的化合物可用作布鲁顿氏酪氨酸激酶（BTK）的抑制剂。该发明还考虑了利用这些化合物治疗通过抑制布鲁顿氏酪氨酸激酶可治疗的疾病，例如癌症、淋巴瘤、白血病和免疫性疾病。
• Dihydroimidazo[2,1-b]thiazole and dihydro-5h-thiazolo[3,2-A]pyrimidines as antidepressant agents
  申请人：——

  公开号：US20030166628A1

  公开（公告）日：2003-09-04

  The present invention relates to certain novel substituted dihydroimidazo[2,1-b]thiazole and dihydro-5H-thiazolo[3,2-a]pyrimidine compounds of Formula (I) including pharmaceutically acceptable salts thereof in which have affinity for 5-HT 1A receptors and which inhibits neuronal reuptake of 5-hydroxytryptamine and/or noradrenaline, to processes for their preparation, to pharmaceutical compositions containing them and to their use in the treatment of depression, anxiety, psychoses (for example schizophrenia), tardive dyskinesia, obesity, drug addiction, drug abuse, cognitive disorders, Alzheimer's disease, obsessive-compulsive behaviour, panic attacks, social phobias, eating disorders such as bulimia, anorexia, snacking and binge eating, non-insulin dependent diabetes mellitus, hyperglycaemia, hyperlipidaemia, stress, as an aid to smoking cessation and in the treatment and/or prophylaxis of seizures, neurological disorders such as epilepsy and/or in which there is neurological damage such as stroke, brain trauma, cerebral ischaemia, head injuries and haemorrhage.

  本发明涉及某些新颖的Formula (I)中的取代二氢咪唑[2,1-b]噻唑和二氢-5H-噻唑[3,2-a]嘧啶化合物，包括其对5-HT1A受体具有亲和力并抑制5-羟色胺和/或去甲肾上腺素的神经再摄取的药用盐，以及其制备方法，含有它们的药物组合物，以及它们在治疗抑郁症、焦虑症、精神病（例如精神分裂症）、迟发性运动障碍、肥胖症、药物成瘾、药物滥用、认知障碍、阿尔茨海默病、强迫性行为、恐慌发作、社交恐惧症、进食障碍（如暴食症、厌食症、吃零食和暴饮暴食）、非胰岛素依赖型糖尿病、高血糖、高脂血症、压力、作为戒烟辅助以及治疗和/或预防癫痫发作、癫痫等神经系统疾病以及存在神经损伤的情况（如中风、脑外伤、脑缺血、头部损伤和出血）中的用途。
• Benzimidazole derivatives and their use as a medicament
  申请人：Poitout Lydie

  公开号：US20090170922A1

  公开（公告）日：2009-07-02

  A subject of the present application is new benzimidazole derivatives of formula in which A, Y, R 1 , R 2 , R 3 and R 4 represent different variable groups. These products have an antagonist activity of GnRH (Gonadotropin-Releasing Hormone). The invention also relates to pharmaceutical compositions containing said products and their use for the preparation of a medicament.

  本申请的主题是公式中A、Y、R1、R2、R3和R4代表不同变量基团的新苯并咪唑衍生物。这些产物具有GnRH（促性腺激素释放激素）的拮抗活性。本发明还涉及含有所述产物的制药组合物及其用于制备药物的用途。
• Processes for producing 2-substituted benzo(beta)thiophene
  申请人：SUMITOMO SEIKA CHEMICALS CO., LTD.

  公开号：EP0572712A2

  公开（公告）日：1993-12-08

  A 2-alkylthiobenzaldehyde of general formula (I) is reacted with a halo compound of general formula (II) to produce a 2-substituted benzo[b]thiophene of general formula (III). wherein R1 means an alkyl group of 1 to 4 carbon atoms. wherein X1 means Cl or Br; Y means -CO2 H, -CO2R2, -COR2, -CONH2 or -CN; R2 means an alkyl group of 1 to 4 carbon atoms. wherein Y is as defined above. The process of this invention is of great economic and industrial value, for 2-acetylbenzo[b]thiophene and 2-benzo[b]thiophenecarboxylic acid, which are important intermediates for drugs and agricultural chemicals among others, can be obtained in a simple manner, easily and in high yield.

  通式(I)的 2-烷基硫代苯甲醛与通式(II)的卤代化合物反应生成通式(III)的 2-取代苯并[b]噻吩。 其中 R1 指 1 至 4 个碳原子的烷基。 其中 X1 指 Cl 或 Br；Y 指 -CO2 H、-CO2R2、-COR2、-CONH2 或 -CN；R2 指 1 至 4 个碳原子的烷基。 其中 Y 如上定义。 本发明的工艺具有极大的经济和工业价值，因为 2-乙酰基苯并[b]噻吩和 2-苯并[b]噻吩羧酸是药物和农药等的重要中间体，可以通过简单的方法轻松高产地获得。