2,2,3,3-tetrafluoropropylisothiocyanate | 79668-14-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 异硫氰酸盐
• 英文名称: 2,2,3,3-tetrafluoropropylisothiocyanate
• 英文别名: 1,1,2,2-tetrafluoro-3-isothiocyanatopropane
• CAS: 79668-14-7
• 化学式: C₄H₃F₄NS
• 分子量: 173.134
• InChiKey: LLJKEQMAYLRVBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  44.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-(4-amino-1,2,3-triazol-2-yl)valeronitrile 、 2,2,3,3-tetrafluoropropylisothiocyanate 以 乙腈 为溶剂， 生成 5-[4-(3-[2,2,3,3-tetrafluoropropyl]thioureido)-1,2,3-triazol-2-yl]valeronitrile
  参考文献：
  名称：

  Heterocyclic derivatives

  摘要：

  本发明涉及异噁唑衍生物，它们是组胺H-2拮抗剂，能抑制胃酸分泌。根据本发明，提供了一种式I的胍基衍生物：##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，4-14C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2-6烷基烯，可选地被1或2个1-4C烷基取代，E是O、S、SO、SO.sub.2或NR.sup.6，其中R.sup.6是H或1-6C烷基，R.sup.5是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5-7C环烷基，或者一个可选地插入一到两个基团的1-8C烷基；R.sup.3和R.sup.4是规范中描述的各种基团；以及其药用可接受的酸盐。还描述了制造工艺和药物组合物。

  公开号：

  US04795755A1

文献信息

• Haloguanidine intermediates
  申请人：Imperial Chemical Industries, Ltd.

  公开号：US04762932A1

  公开（公告）日：1988-08-09

  Compounds useful for inhibiting gastric acid secretion and for the treatment of peptic ulcers caused or exacerbated by gastric acidity having the following formula (I): ##STR1## in which R.sup.1 and R.sup.2, are H, C.sub.1-10 alkyl, C.sub.3-8 cycloalkyl or cycloalkylalkyl in which the alkyl part is C.sub.1-6 and the cycloalkyl part is C.sub.3-8, each of the alkyl, cycloalkyl and cycloalkylalkyls being optionally substituted by one or more halogens selected from F, Cl and Br, provided that at least one of R.sup.1 and R.sup.2 is a halogen substituted alkyl, cycloalkyl or cycloalkylalkyl and provided that there is no halogen substituent on the carbon directly attached to the nitrogen; and X, m, Y, n and R.sup.3 are as described in the specification; and the pharmaceutically-acceptable acid-addition salts thereof. Processes for producing compounds of formula (I), pharmaceutical compositions containing them, methods of utilizing such compositions and intermediates useful for synthesizing compounds of formula (I) are also described.

  用于抑制胃酸分泌和治疗由胃酸引起或加重的消化性溃疡的化合物具有以下式(I)的结构：##STR1## 其中R.sup.1和R.sup.2是H、C.sub.1-10烷基、C.sub.3-8环烷基或环烷基烷基，其中烷基部分为C.sub.1-6，环烷基部分为C.sub.3-8，每个烷基、环烷基和环烷基烷基可选择地被一种或多种来自F、Cl和Br的卤素取代，前提是R.sup.1和R.sup.2中至少有一个是卤素取代的烷基、环烷基或环烷基烷基，并且直接连接到氮的碳上没有卤素取代基；而X、m、Y、n和R.sup.3如说明书所述；以及其药学上可接受的酸加成盐。还描述了制备式(I)化合物的方法、含有它们的药物组合物、利用这样的组合物的方法和合成式(I)化合物的有用中间体。
• Haloguanidine compounds, pharmaceutical compositions and methods of use
  申请人：ICI Americas Inc.

  公开号：US04362728A1

  公开（公告）日：1982-12-07

  Compounds useful for inhibiting gastric acid secretion and for the treatment of peptic ulcers caused or exacerbated by gastric acidity having the following formula (I): ##STR1## in which R.sup.1 and R.sup.2, are H, C.sub.1-10 alkyl, C.sub.3-8 cycloalkyl or cycloalkylalkyl in which the alkyl part is C.sub.1-6 and the cycloalkyl part is C.sub.3-8, each of the alkyl, cycloalkyl and cycloalkylalkyls being optionally substituted by one or more halogens selected from F, Cl and Br, provided that at least one of R.sup.1 and R.sup.2 is a halogen substituted alkyl, cycloalkyl or cycloalkylalkyl and provided that there is no halogen substituent on the carbon directly attached to the nitrogen; and X, m, Y, n and R.sup.3 are as described in the specification; and the pharmaceutically-acceptable acid-addition salts thereof. Processes for producing compounds of formula (I), pharmaceutical compositions containing them, methods of utilizing such compositions and intermediates useful for synthesizing compounds of formula (I) are also described.

  具有以下公式（I）的化合物，用于抑制胃酸分泌和治疗由胃酸引起或加重的消化性溃疡：##STR1## 其中R.sup.1和R.sup.2为H、C.sub.1-10烷基、C.sub.3-8环烷基或环烷基烷基，其中烷基部分为C.sub.1-6，环烷基部分为C.sub.3-8，每个烷基、环烷基和环烷基烷基可选择地被F、Cl和Br中的一个或多个卤素取代，前提是R.sup.1和R.sup.2中至少有一个是被卤素取代的烷基、环烷基或环烷基烷基，并且直接连接到氮的碳上没有卤素取代基；X、m、Y、n和R.sup.3如说明书中所述；以及其药学上可接受的酸加成盐。还描述了制备公式（I）化合物的过程，含有它们的制药组合物，使用这种组合物的方法以及用于合成公式（I）化合物的中间体。