1-benzo[b]thiophen-3-yl-3-dimethylamino-propan-1-one; hydrochloride | 61-40-5

• 物质功能分类: 医药中间体 - 原料药中间体
• 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-3-yl-3-dimethylamino-propan-1-one; hydrochloride
• 英文别名: 1-Benzo[b]thiophen-3-yl-3-dimethylamino-propan-1-on; Hydrochlorid；1-Propanone, 1-benzo(b)thien-3-yl-3-(dimethylamino)-, hydrochloride；1-(1-benzothiophen-3-yl)-3-(dimethylamino)propan-1-one;hydrochloride
• CAS: 61-40-5
• 化学式: C₁₃H₁₅NOS*ClH
• 分子量: 269.795
• InChiKey: VLWUPJUWLHHZIS-UHFFFAOYSA-N

物化性质

• 熔点：
  175-176 °C

计算性质

• 辛醇/水分配系数(LogP)：
  3.46
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  48.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 3-乙酰硫茚 、 盐酸二甲胺 在 异戊醇 作用下， 生成 1-benzo[b]thiophen-3-yl-3-dimethylamino-propan-1-one; hydrochloride
  参考文献：
  名称：

  Derivatives of Thianaphthene. II

  摘要：

  DOI：

  10.1021/ja01176a079

文献信息

• THIAZOLODERIATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：Knoll GmbH

  公开号：EP1178993A1

  公开（公告）日：2002-02-13
• [EN] THIAZOLODERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] DERIVES DE THIAZOLE ET COMPOSITIONS PHARMACEUTIQUES CONTENANT CES DERIVES
  申请人：KNOLL AG

  公开号：WO2000071549A1

  公开（公告）日：2000-11-30

  Compounds of formula (I); processes to prepare such compounds; compositions containing such compounds and their use in the treatment of depression, anxiety, psychoses (for examples schizophrenia), tardive dyskinesia, obesity, drug addiction, drug abuse, cognitive disorders, Alzheimer's disease, cerebral ischaemia, 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, and their use in the treatment and/or prophylaxis of seizures, neurological disorders such as epilepsy and/or conditions in which there is neurological damage such as stroke, brain trauma, cerebral ischaemia, head injuries and haemorrhage and as an aid to smoking cessation; are described.
• Derivatives of Thianaphthene. II
  作者：F. F. Blicke、Don G. Sheets

  DOI：10.1021/ja01176a079

  日期：1949.8