5-chloro-6-(2-chloro-4-fluorophenyl)-7-(4-methylpiperidin-1-yl)-[1,2,4]-triazolo-[1,5-a]-pyrimidine | 691012-00-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-chloro-6-(2-chloro-4-fluorophenyl)-7-(4-methylpiperidin-1-yl)-[1,2,4]-triazolo-[1,5-a]-pyrimidine
• 英文别名: 5-Chloro-6-(2-chloro-4-fluorophenyl)-7-(4-methylpiperidin-1-yl)-[1,2,4]-triazolo-[1,5-a]-pyrimidine；5-chloro-6-(2-chloro-4-fluorophenyl)-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
• CAS: 691012-00-7
• 化学式: C₁₇H₁₆Cl₂FN₅
• 分子量: 380.252
• InChiKey: MCLIYRQTJLPXAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  46.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-chloro-6-(2-chloro-4-fluorophenyl)-7-(4-methylpiperidin-1-yl)-[1,2,4]-triazolo-[1,5-a]-pyrimidine 、 氰化四乙基铵 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 16.0h， 生成 5-cyano-6-(2-chloro-4-fluorophenyl)-7-(4-methylpiperidin-1-yl)-[1,2,4]-triazolo[1,5-a]pyrimidine
  参考文献：
  名称：

  [EN] 6-(2-HALOGENPHENYL)-TRIAZOLOPYRIMIDINES DERIVATIVES AND THEIR USE AS FUNGICIDE
  [FR] 6-( 2-HALOGENNPHENYL)-TRIAZOLOPYRIMIDINES SUBSTITUEES

  摘要：

  公开号：

  WO2004041824A3

文献信息

• Substituted 6-(2-halogennphenyl)-triazolopyrimidines
  申请人：Tormo I Blasco Jordi

  公开号：US20060241128A1

  公开（公告）日：2006-10-26

  Substituted 6-(2-halogenphenyl)-triazolopyrimidines of formula I in which R 1 denote alkyl, alkenyl, alkynyl, alkadienyl, haloalkyl, haloalkenyl, cycloalkyl, phenyl, naphthyl, or a 5- or 6-membered saturated, unsaturated, or aromatic heterocycle, containing one to four nitrogen atoms or one to three nitrogen atoms and one sulfur or oxygen atom, wherein R 1 and R 2 radicals may be substituted as defined in the description, R 2 denote hydrogen, or a group mentioned for R 1 ; or R 1 and R 2 together with the interjacent nitrogen atom represent a 5- or 6-membered heterocycle, containing one to four nitrogen atoms or one to three nitrogen atoms and one sulfur or oxygen atom, which ring may be substituted as defined in the description; Hal is halogen; L 1 , L 3 independently denote hydrogen, halogen, or alkyl; L 2 is hydrogen, halogen, haloalkyl, or NH 2 , NHR b , or N(R b ) 2 , wherein R b is as defined in the description, wherein at least one from L 1 , L 2 , and L 3 is not hydrogen; X is halogen, cyano, alkyl, alkoxy, haloalkoxy or alkenyloxy. processes for their preparation, compositions containing them and to their use for combating phytopathogenic fungi.

  化学式为I的6-(2-卤代苯基)-三唑嘧啶化合物，其中： R1表示烷基、烯基、炔基、烯二烃基、卤代烷基、卤代烯基、环烷基、苯基、萘基或含有1-4个氮原子或1-3个氮原子和1个硫或氧原子的5-或6-成员饱和、不饱和或芳香族杂环，其中R1和R2基团可以被定义中的取代基所取代； R2表示氢或R1所述的基团；或 R1和R2与其间隔的氮原子一起表示含有1-4个氮原子或1-3个氮原子和1个硫或氧原子的5-或6-成员杂环，该环可以被定义中的取代基所取代； Hal表示卤素； L1、L3独立地表示氢、卤素或烷基； L2表示氢、卤素、卤代烷基或NH2、NHRb或N（Rb）2，其中Rb如定义中所述， 其中至少有一个来自L1、L2和L3不是氢； X表示卤素、氰基、烷基、烷氧基、卤代烷氧基或烯氧基。 本发明还涉及制备它们的方法、含有它们的组合物以及用于防治植物病原真菌的方法。
• EP1562948A2
  申请人：——

  公开号：EP1562948A2

  公开（公告）日：2005-08-17
• US7763622B2
  申请人：——

  公开号：US7763622B2

  公开（公告）日：2010-07-27
• [EN] SUBSTITUTED 6-( 2-HALOGENNPHENYL)-TRIAZOLOPYRIMIDINES<br/>[FR] 6-( 2-HALOGENNPHENYL)-TRIAZOLOPYRIMIDINES SUBSTITUEES
  申请人：BASF AG

  公开号：WO2004041824A2

  公开（公告）日：2004-05-21

  Substituted 6-(2-halogenphenyl)-triazolopyrimidines of formula (I) in which R1 denote alkyl, alkenyl, alkynyl, alkadienyl, haloalkyl, haloalkenyl, cycloalkyl, phenyl, naphthyl, or a 5- or 6-membered saturated, unsaturated, or aromatic heterocycle, containing one to four nitrogen atoms or one to three nitrogen atoms and one sulfur or oxygen atom, wherein R1 and R2 radicals may be substituted as defined in the description, R2 denote hydrogen, or a group mentioned for R1; or R1 and R2 together with the interjacent nitrogen atom represent a 5- or 6-membered heterocycle, containing one to four nitrogen atoms or one to three nitrogen atoms and one sulfur or oxygen atom, which ring may be substituted as defined in the description; Hal is halogen; L1, L3 independently denote hydrogen, halogen, or alkyl; L2 is hydrogen, halogen, haloalkyl, or NH2, NHRb, or N(Rb)2, wherein Rb is as defined in the description,wherein at least one from L1, L2, and L3 is not hydrogen; X is halogen, cyano, alkyl, alkoxy, haloalkoxy or alkenyloxy processes for their preparation, compositions containing them and to their use for combating phytopathogenic fungi.
• [EN] 6-(2-HALOGENPHENYL)-TRIAZOLOPYRIMIDINES DERIVATIVES AND THEIR USE AS FUNGICIDE<br/>[FR] 6-( 2-HALOGENNPHENYL)-TRIAZOLOPYRIMIDINES SUBSTITUEES
  申请人：BASF AG

  公开号：WO2004041824A3

  公开（公告）日：2004-07-29