N-(1-methoxy-2,2,2-trichloroethyl)nicotinamide | 102862-70-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-(1-methoxy-2,2,2-trichloroethyl)nicotinamide
• 英文别名: N-(2,2,2-trichloro-1-methoxyethyl)pyridine-3-carboxamide
• CAS: 102862-70-4
• 化学式: C₉H₉Cl₃N₂O₂
• 分子量: 283.542
• InChiKey: NOOXLJCXJRBRSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-(2,2,2-三氯-1-羟乙基)吡啶-3-甲酰胺 生成 N-(1-methoxy-2,2,2-trichloroethyl)nicotinamide
  参考文献：
  名称：

  NAKAGAWA, TAIZO;TANAKA, EIICHI;KOIKE, KENGO;YOSHIDA, HIROMI;YOSHIDA, HIRO+

  摘要：

  DOI：

文献信息

• Bactericidal N-(2,2,2 trichloroethyl)pyridinecarboxamides
  申请人：Nippon Kayaku Kabushiki Kaisha

  公开号：US04659722A1

  公开（公告）日：1987-04-21

  Disclosed is the compound of the formula: ##STR1## wherein X is oxygen, sulfur or ##STR2## R.sub.1 is 3-pyridyl or 4-pyridyl, R.sub.2 is C.sub.1 .about.C.sub.12 -alkyl; C.sub.3 - or C.sub.4 -alkenyl; C.sub.5 - or C.sub.6 -cycloalkyl which may be substituted by C.sub.1 - or C.sub.2 -alkyl; pyridyl; pyridylmethyl; phenethyl cyanoalkyl having 1 or 2 carbon atoms; methoxyethyl; 1-methylmethoxypropyl; phenyl; phenyl which is substituted by one or more of C.sub.1 .about.C.sub.4 -alkyl, C.sub.1 .about.C.sub.4 -alkoxy, nitro, halogen, trifluoromethyl, allyl and methoxycarbonyl; benzyl; benzyl which is substituted by one or more of methyl, nitro, methoxy and chloro; .alpha.-methylbenzyl; C.sub.1 .about.C.sub.6 -alkyl which is substituted by halogen when X is oxygen or ##STR3## C.sub.2 - or C.sub.3 -alkyl which is substituted by dimethylamino, furfuryl or thienylmethyl; R.sub.3 is hydrogen, C.sub.1 .about.C.sub.4 -alkyl, cyanomethyl, methoxycarbonylmethyl, or 1-propoxycarbonylmethyl. These compounds are bactericides.

  本发明涉及一种化合物，其化学式为：##STR1## 其中X为氧、硫或##STR2## R.sub.1为3-吡啶基或4-吡啶基，R.sub.2为C.sub.1-C.sub.12烷基；C.sub.3-或C.sub.4-烯基；C.sub.5-或C.sub.6-环烷基，其可以被C.sub.1-或C.sub.2-烷基；吡啶基；吡啶甲基；苯乙基；氰基烷基，其有1或2个碳原子；甲氧基乙基；1-甲基甲氧基丙基；苯基；苯基，其被1个或多个C.sub.1-C.sub.4烷基、C.sub.1-C.sub.4-烷氧基、硝基、卤素、三氟甲基、烯丙基和甲氧羰基取代；苄基；苄基，其被甲基、硝基、甲氧基和氯取代；α-甲基苄基；C.sub.1-C.sub.6烷基，当X为氧或##STR3##时，其被卤素取代；C.sub.2-或C.sub.3-烷基，其被二甲基氨基、糠醛基或噻吩基甲基取代；R.sub.3为氢、C.sub.1-C.sub.4-烷基、氰基甲基、甲氧羰基甲基或1-丙氧羰基甲基。这些化合物是杀菌剂。
• 3-or 4-pyridinecarboxamide-derivates and their use as bactericides
  申请人：NIPPON KAYAKU CO., LTD.

  公开号：EP0172545A1

  公开（公告）日：1986-02-26

  Disclosed is the compound of the formula: wherein X is oxygen, sulfur or R, is 3-pyridyl or 4-pyridyl, R2 is C1~C12-alkyl; C3- or C4-alkenyl; C5- or C6-cycloalkyl which may be substituted by C,- or C2-alkyl; pyridyl; pyridylmethyl; phenethyl cyanoalkyl having 1 or 2 carbon atoms; methoxyethyl; 1-methylmethoxypropyl; phenyl; phenyl which is substituted by one or more of C1~C4-alkyl, C1~C4-alkoxy, nitro, halogen, trifluoromethyl, allyl and methoxycarbonyl; benzyl; benzyl which is substituted by one or more of methyl, nitro, methoxy and chloro; a-methylbenzyl; C1~C6-alkyl which is substituted by halogen when X is oxygen or C2- or C3-alkyl which is substituted by dimethylamino, furfuryl or thienylmethyl; R3 is hydrogen, C1~C4-alkyl, cyanomethyl, methoxycarbonylmethyl, or 1-propoxycarbonylmethyl.

  所公开的是式中的化合物： 其中 X 是氧、硫或 R，是 3-吡啶基或 4-吡啶基，R2 是 C1~C12-烷基；C3-或 C4-烯基；可被 C，- 或 C2-烷基取代的 C5-或 C6-环烷基；吡啶基；吡啶甲基；具有 1 或 2 个碳原子的苯乙基氰基烷基；甲氧基乙基；1-甲基甲氧基丙基；苯基；被 C1~C4-烷基、C1~C4-烷氧基、硝基、卤素、三氟甲基、烯丙基和甲氧基羰基中的一个或多个取代的苯基； 苄基；被甲基、硝基、甲氧基和氯中的一个或多个取代的苄基；a-甲基苄基；当 X 为氧时被卤素取代的 C1~C6-烷基，或 R3 是氢、C1~C4-烷基、氰基甲基、甲氧羰基甲基或 1-丙氧羰基甲基。
• ——
  作者：NAKAGAVA TAJDZO、 TANAKA EHJITI、 KOIKEH KEHNGO、 JOSIDA XIROMI

  DOI：——

  日期：——
• JPS6150969A
  申请人：——

  公开号：JPS6150969A

  公开（公告）日：1986-03-13
• US4659722A
  申请人：——

  公开号：US4659722A

  公开（公告）日：1987-04-21