(2,2,2-trifluoroethyl)-thiourea | 84545-31-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫脲类
• 英文名称: (2,2,2-trifluoroethyl)-thiourea
• 英文别名: 2,2,2-trifluoroethyl-thiourea；2,2,2-trifluoroethylthiourea；1-(2,2,2-Trifluoroethyl)thiourea
• CAS: 84545-31-3
• 化学式: C₃H₅F₃N₂S
• mdl: MFCD10691447
• 分子量: 158.147
• InChiKey: OMUMOOLRHXALLM-UHFFFAOYSA-N

物化性质

• 沸点：
  142.4±50.0 °C(Predicted)
• 密度：
  1.412±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  70.1
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  (2,2,2-trifluoroethyl)-thiourea 、 2-溴-4'-氰基苯乙酮 在 碳酸氢钠 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以95%的产率得到4-[2-(2,2,2-trifluoroethylamino)-thiazol-4-yl]-benzonitrile
  参考文献：
  名称：

  WO2007/28083

  摘要：

  公开号：
• 作为产物：
  描述：

  1-benzoyl-3-(2,2,2-trifluoroethyl)-thiourea 在 甲醇 、 水 、 potassium carbonate 作用下， 反应 16.0h， 以66%的产率得到(2,2,2-trifluoroethyl)-thiourea
  参考文献：
  名称：

  WO2007/28083

  摘要：

  公开号：

文献信息

• Haloalkylguanidine compounds, pharmaceutical compositions and methods,
  申请人：Imperial Chemical Industries PLC

  公开号：US04447441A1

  公开（公告）日：1984-05-08

  The invention relates to guanidine derivatives which are histamine H-2 antagonists and which inhibit gastric acid secretion. According to the invention there is provided a guanidine derivative of the formula I:- ##STR1## in which R.sup.1 and R.sup.2, same or different, are hydrogen or 1-10C alkyl, 3-8C cycloalkyl or 4-14C cycloalkylalkyl, each alkyl, cycloalkyl or cycloalkylalkyl optionally carrying one or more F, Cl or Br atoms, provided that one of R.sup.1 and R.sup.2 is halogen substituted, or R.sup.2 is hydrogen and R.sup.1 is R.sup.5 --E--W in which W is 2-6C alkylene optionally substituted by 1 or 2 1-4C alkyls, E is O,S or NR.sup.6 in which R.sup.6 is H or 1-6C alkyl, R.sup.5 is H or 1-6C alkyl optionally substituted by 1 or 2 1-4C alkyls, or R.sup.5 and R.sup.6 are joined to form a pyrrolidine, piperidine, morpholine, piperazine or N-methylpiperazine ring; ring X is a heterocyclic ring as defined in the specification; A is phenylene or 5-7C cycloalkylene, or a 1-8C alkylene into which is optionally inserted one or two groups; D is O or S; and R.sup.3 and R.sup.4 are hydrogen or a variety of radicals described in the specification: and the pharmaceutically-acceptable acid-addition salts thereof. Manufacturing processes and pharmaceutical compositions are also described.

  该发明涉及胍基衍生物，它们是组胺H-2拮抗剂，能抑制胃酸分泌。根据该发明，提供了一种符合以下式I的胍基衍生物：- ##STR1## 其中R.sup.1和R.sup.2，相同或不同，是氢或1-10碳原子的烷基，3-8碳原子的环烷基或4-14碳原子的环烷基烷基，每个烷基、环烷基或环烷基烷基可选地携带一个或多个F、Cl或Br原子，前提是R.sup.1和R.sup.2中的一个是卤素取代的，或者R.sup.2是氢而R.sup.1是R.sup.5--E--W，其中W是可选地由1或2个1-4碳原子的烷基取代的2-6碳原子的亚烷基，E是O、S或NR.sup.6，其中R.sup.6是H或1-6碳原子的烷基，R.sup.5是H或1-6碳原子的烷基，可选地由1或2个1-4碳原子的烷基取代，或者R.sup.5和R.sup.6连接形成吡咯烷、哌啶、吗啉、哌嗪或N-甲基哌嗪环；环X是规范中定义的杂环；A是苯基或5-7碳原子的环烷基，或者可选地插入一到两个基团的1-8碳原子的亚烷基；D是O或S；R.sup.3和R.sup.4是氢或规范中描述的各种基团；以及其药用可接受的酸加盐。还描述了制造工艺和药物组合物。
• Haloalkylguanidine compounds, pharmaceutical compositions and methods
  申请人：ICI Americas Inc.

  公开号：US04665073A1

  公开（公告）日：1987-05-12

  The invention relates to guanidine derivatives which are histamine H-2 antagonists and which inhibit gastric acid secretion. According to the invention there is provided a guanidine derivative of the formula I: ##STR1## in which R.sup.1 and R.sup.2, same or different, are hydrogen or 1-10C alkyl, 3-8C cycloalkyl or 4-15C cycloalkylalkyl, each alkyl, cycloalkyl or cycloalkylalkyl optionally carrying one or more F, Cl or Br atoms, provided that one of R.sup.1 and R.sup.2 is halogen substituted, or R.sup.2 is hydrogen and R.sup.1 is R.sup.5 --E--W in which W is 2-6C alkylene optionally substituted by 1 or 2 1-4C alkyls, E is O,S or NR.sup.6 in which R.sup.6 is H or 1-6C alkyl, R.sup.5 is H or 1-6C alkyl optionally substituted by 1 or 2 1-4C alkyls, or R.sup.5 and R.sup.6 are joined to form a pyrrolidine, piperidine, morpholine, piperazine or N-methylpiperazine ring; ring X is a heterocyclic ring as defined in the specification; A is phenylene or 5-7C cycloalkylene, or a 1-8C alkylene into which is optionally inserted one or two groups; D is O or S; and R.sup.3 and R.sup.4 are hydrogen or a variety of radicals described in the specification: and the pharmaceutically-acceptable acid-addition salts thereof. Manufacturing processes and pharmaceutical compositions are also described.

  本发明涉及一种胃酸分泌抑制剂组，为组胺H-2受体拮抗剂的胍衍生物。根据本发明，提供了一种公式I的胍衍生物：##STR1## 其中R.sup.1和R.sup.2，相同或不同，为氢或1-10C烷基，3-8C环烷基或4-15C环烷基烷基，每个烷基，环烷基或环烷基烷基可以携带一个或多个F、Cl或Br原子，前提是R.sup.1和R.sup.2中的一个被卤素取代，或者R.sup.2为氢，R.sup.1为R.sup.5 --E--W，其中W为2-6C烷基，可选地被1或2个1-4C烷基取代，E为O、S或NR.sup.6，其中R.sup.6为H或1-6C烷基，R.sup.5为H或1-6C烷基，可选地被1或2个1-4C烷基取代，或者R.sup.5和R.sup.6连接形成吡咯烷、哌嗪烷、吗啉、哌嗪或N-甲基哌嗪环；环X是如规范中所定义的杂环；A是苯撑或5-7C环烷撑，或者是1-8C烷基，其中可选择插入一或两个基团；D是O或S；以及其药学上可接受的酸加成盐。还描述了制造工艺和制药组合物。
• 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists
  申请人：Briner Karin

  公开号：US20080269196A1

  公开（公告）日：2008-10-30

  The present invention provides 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines of Formula (I) as selective 5-HT2c receptor agonists for the treatment of 5-HT2c associated disorders including obesity, obsessive/compulsive disorder, depression, and anxiety, where, R6 is —NR10R11, where R10 is substituted phenylalkyl or substituted pyridylalkyl and other substituents are as defined in the specification.

  本发明提供了式（I）的6-取代的2,3,4,5-四氢-1H-苯并[d]氮杂环化合物，作为选择性5-HT2c受体激动剂，用于治疗与5-HT2c相关的疾病，包括肥胖、强迫症/强迫性障碍、抑郁症和焦虑症，其中，R6为—NR10R11，其中R10为取代的苯基烷基或取代的吡啶基烷基，其他取代基如说明书所定义。
• 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists
  申请人：Briner Karen

  公开号：US08680091B2

  公开（公告）日：2014-03-25

  The present invention provides 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines of Formula (I) as selective 5-HT2c receptor agonists for the treatment of 5-HT2c associated disorders including obesity, obsessive/compulsive disorder, depression, and anxiety, where, R6 is —NR10R11, where R10 is substituted phenylalkyl or substituted pyridylalkyl and other substituents are as defined in the specification.

  本发明提供了式（I）的6-取代2,3,4,5-四氢-1H-苯并[d]氮杂环化合物作为选择性5-HT2c受体激动剂，用于治疗5-HT2c相关疾病，包括肥胖症、强迫症、抑郁症和焦虑症，其中，R6为-NR10R11，其中R10为取代的苯基烷基或取代的吡啶基烷基，其他取代基如规范中定义。
• WO2007/28083
  申请人：——

  公开号：——

  公开（公告）日：——