methyl 5-amino-1-methyl-3-trifluoromethylpyrazole-4-carboxylate | 317806-49-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: methyl 5-amino-1-methyl-3-trifluoromethylpyrazole-4-carboxylate
• 英文别名: Methyl 5-amino-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate
• CAS: 317806-49-8
• 化学式: C₇H₈F₃N₃O₂
• 分子量: 223.155
• InChiKey: IULORDPTFGUCOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  70.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl 5-amino-1-methyl-3-trifluoromethylpyrazole-4-carboxylate 以82%的产率得到3-hydroxy-2-methoxycarbonyl-4,4,4-trifluorobut-2-enenitrile sodium salt
  参考文献：
  名称：

  5-aminopyrazole-4-carboxylate derivative and process for preparing the same

  摘要：

  通过反应式（C）的反应，将式（2）所代表的化合物与式（3）或其水合物、盐（如盐酸盐、溴化物盐或硫酸盐）所代表的肼化合物反应，制备出式（1）所代表的5-氨基吡唑-4-羧酸衍生物。其中，R1为直链或支链的C1到C4烷基，可被卤素原子取代；R2为氢原子、直链或支链的C1到C4烷基或未取代或取代的苯基；R3为直链或支链的C1到C4烷基；M为碱金属。本发明制备过程得到的5-氨基吡唑-4-羧酸衍生物可用作农药和药物的中间体，特别是杀菌剂。

  公开号：

  US06235911B1

文献信息

• 5-Aminopyrazole-4-carboxylate derivative and process for preparing the same
  申请人：Mitsui Chemicals, Inc.

  公开号：EP1067121A2

  公开（公告）日：2001-01-10

  A 5-aminopyrazole-4-carboxylate derivative represented by the formula (1) is prepared by reacting a compound represented by the formula (2) with a hydrazine compound represented by the formula (3) or hydrate, hydrochloride, hydrobromide or sulfate of the same according to the reaction formula (C): wherein R1 is a straight or branched C1 to C4 alkyl group which can be substituted with a halogen atom, R2 is a hydrogen atom, straight or branched C1 to C4 alkyl group or an unsubstituted or substituted phenyl group, and R3 is a straight or branched C1 to C4 alkyl group, and M is an alkali metal. The 5-aminopyrazole-4-carboxylate derivative obtained by the preparation process of the invention is useful for an intermediate of agricultural chemicals and medicines, fungicides in particular.

  式(1)代表的5-氨基吡唑-4-羧酸盐衍生物是由式(2)代表的化合物与式(3)代表的肼化合物或其水合物、盐酸盐、氢溴酸盐或硫酸盐按反应式(C)反应制备的： 其中 R1 是可被卤原子取代的直链或支链 C1 至 C4 烷基，R2 是氢原子、直链或支链 C1 至 C4 烷基或未取代或取代的苯基，R3 是直链或支链 C1 至 C4 烷基，M 是碱金属。 通过本发明的制备工艺得到的 5-氨基吡唑-4-羧酸酯衍生物可用作农用化学品和药物，特别是杀菌剂的中间体。
• US6235911B1
  申请人：——

  公开号：US6235911B1

  公开（公告）日：2001-05-22
• 5-aminopyrazole-4-carboxylate derivative and process for preparing the same
  申请人：Mitsui Chemicals, Inc.

  公开号：US06235911B1

  公开（公告）日：2001-05-22

  A 5-aminopyrazole-4-carboxylate derivative represented by the formula (1) is prepared by reacting a compound represented by the formula (2) with a hydrazine compound represented by the formula (3) or hydrate, hydrochloride, hydrobromide or sulfate of the same according to the reaction formula (C): wherein R1 is a straight or branched C1 to C4 alkyl group which can be substituted with a halogen atom, R2 is a hydrogen atom, straight or branched C1 to C4 alkyl group or an unsubstituted or substituted phenyl group, and R3 is a straight or branched C1 to C4 alkyl group, and M is an alkali metal. The 5-aminopyrazole-4-carboxylate derivative obtained by the preparation process of the invention is useful for an intermediate of agricultural chemicals and medicines, fungicides in particular.

  通过反应式（C）的反应，将式（2）所代表的化合物与式（3）或其水合物、盐（如盐酸盐、溴化物盐或硫酸盐）所代表的肼化合物反应，制备出式（1）所代表的5-氨基吡唑-4-羧酸衍生物。其中，R1为直链或支链的C1到C4烷基，可被卤素原子取代；R2为氢原子、直链或支链的C1到C4烷基或未取代或取代的苯基；R3为直链或支链的C1到C4烷基；M为碱金属。本发明制备过程得到的5-氨基吡唑-4-羧酸衍生物可用作农药和药物的中间体，特别是杀菌剂。