4,5-dihydro-1-methyl-5-oxo-4-(4-bromomethylphenyl)-1H-1,2,4-triazole | 183994-35-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4,5-dihydro-1-methyl-5-oxo-4-(4-bromomethylphenyl)-1H-1,2,4-triazole
• 英文别名: 4,5-dihydro-1-methyl-5-oxo4-(4-bromomethylphenyl)-1H-1,2,4-triazole；4-[4-(bromomethyl)phenyl]-2-methyl-1,2,4-triazol-3-one
• CAS: 183994-35-6
• 化学式: C₁₀H₁₀BrN₃O
• 分子量: 268.113
• InChiKey: PYGGOPVMIUUANX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  35.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,5-dihydro-1-methyl-5-oxo-4-(4-bromomethylphenyl)-1H-1,2,4-triazole 、 4-[bis(4-trifluoromethoxyphenyl)hydroxymethyl]piperidine 在 N,N-二异丙基乙胺 作用下， 以 正庚烷 、 二甲基亚砜 为溶剂， 生成 N-[4-(4,5-dihydro-1-methyl-5-oxo-1H-1,2,4-triazol-4-yl)phenylmethyl]-4-[bis(4-trifluoromethoxyphenyl)hydroxymethyl]piperidine
  参考文献：
  名称：

  Insecticidal N-(substituted arylmethyl)-4-[bis(substituted

  摘要：

  公开了具有以下结构的化合物，相应的N-氧化物和农业可接受的盐作为有效的杀虫剂：##STR1## 其中U从--(CH.sub.2).sub.n--和乙烯基中选择；Q从氢、羟基、硫醇和氟中选择；R从##STR2## 中选择，其中V从氢、卤素、烷基、卤代烷基、烷氧基、烷基硫基、烷基亚砜基、烷基硅氧基、二烷基氨基、氰基、硝基、羟基和苯基中选择；Y和Z独立地从氢和烷氧基中选择；W和X结合在一起是--OCH.sub.2 CH.sub.2 O--，--CH.sub.2 C(CH.sub.3).sub.2 O--，--OC(CH.sub.3).sub.2 O--或--N.dbd.C(C.sub.2 H.sub.5)O--；R.sup.1和R.sup.2独立地从用卤素、烷基、卤代烷基、卤代烷氧基、烷氧基烷基、羟基、芳基硫基、烷氧基、二烷基氨基、二烷基氨基磺酰基、羟基烷基氨基羰基、烷基砜氧基和卤代烷基砜氧基取代的苯基中选择；n为1、2或3。

  公开号：

  US05639763A1
• 作为产物：
  描述：

  4,5-dihydro-1-methyl-5-oxo-4-(4-methylphenyl)-1H-1,2,4-triazole 在 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 以 四氯化碳 为溶剂， 生成 4,5-dihydro-1-methyl-5-oxo-4-(4-bromomethylphenyl)-1H-1,2,4-triazole
  参考文献：
  名称：

  Insecticidal N-(substituted arylmethyl)-4-[bis(substituted

  摘要：

  公开了具有以下结构的化合物，相应的N-氧化物和农业可接受的盐作为有效的杀虫剂：##STR1## 其中U从--(CH.sub.2).sub.n--和乙烯基中选择；Q从氢、羟基、硫醇和氟中选择；R从##STR2## 中选择，其中V从氢、卤素、烷基、卤代烷基、烷氧基、烷基硫基、烷基亚砜基、烷基硅氧基、二烷基氨基、氰基、硝基、羟基和苯基中选择；Y和Z独立地从氢和烷氧基中选择；W和X结合在一起是--OCH.sub.2 CH.sub.2 O--，--CH.sub.2 C(CH.sub.3).sub.2 O--，--OC(CH.sub.3).sub.2 O--或--N.dbd.C(C.sub.2 H.sub.5)O--；R.sup.1和R.sup.2独立地从用卤素、烷基、卤代烷基、卤代烷氧基、烷氧基烷基、羟基、芳基硫基、烷氧基、二烷基氨基、二烷基氨基磺酰基、羟基烷基氨基羰基、烷基砜氧基和卤代烷基砜氧基取代的苯基中选择；n为1、2或3。

  公开号：

  US05639763A1

文献信息

• Insecticidal n-(substituted arylmethyl)-4-[bis(substituted phenyl) methyl]p
  申请人：FMC Corporation

  公开号：US05569664A1

  公开（公告）日：1996-10-29

  Compounds of the following structure, the corresponding N-oxides and agriculturally acceptable salts, are disclosed as effective insecticides: ##STR1## in which U is selected from ##STR2## Q is selected from hydrogen, hydroxy, sulfhydryl, and fluorine; R is selected from a heterocycle having 5 or 6 ring atoms, optionally fused to a benzene ring, and ##STR3## wherein V, W, X, Y, Z are as defined in the specification.

  以下结构化合物，对应的N-氧化物和农业可接受的盐，被披露为有效的杀虫剂：##STR1## 其中U从##STR2## 中选择，Q从氢、羟基、硫醇和氟中选择；R从具有5个或6个环原子的杂环中选择，可选地融合到苯环和##STR3## 中选择，其中V、W、X、Y、Z如规范中定义。
• Insecticidal N-(substituted arylmethyl)-4[bis(substituted phenyl or pyridyl)methyl] piperidines
  申请人：FMC Corporation

  公开号：US06214845B1

  公开（公告）日：2001-04-10

  Compounds of the following structure, the corresponding N-oxides and agriculturally acceptable salts, are disclosed as effective insecticides: in which U is —(CH2)n—; Q is hydroxy; R is in which V, W, Y, and Z are each hydrogen; X is a five- or six-membered heterocycle; optionally substituted with halogen, cyano, alkyl, haloalkyl, alkoxy, haloalkoxy, alkoxyalkyl, haloalkoxyalkyl, or aminocarbonyl; and the heterocycle is optionally connected to the phenyl ring through a —O—, —S—, —(CH2)p, —C(O)—, or —O—(CR3R4)q linkage; R1 and R2 are independently selected from phenyl or pyridyl substituted with haloalkyl or haloalkoxy; R3 and R4 are independently selected from hydrogen and methyl; n and p are independently 1, 2, or 3; and q is 1 or 2; with the proviso that at least one of R1 and R2 is substituted in the para position; no more than two of R3 and R4 are methyl; each aliphatic moiety contains not more than 4 carbon atoms; halogen means bromine, chlorine, or fluorine; each heterocycle contains from 1 to 4 nitrogen atoms, or 1 or 2 oxygen or sulfur atoms, or 1 or 2 nitrogen atoms and an oxygen or sulfur atom; and the corresponding N-oxides and agriculturally acceptable salts.

  以下结构的化合物，相应的N-氧化物和农业可接受的盐被披露为有效的杀虫剂：其中U为-(CH2)n-; Q为羟基; R为其中V、W、Y和Z均为氢; X为五元或六元杂环; 可选地用卤素、氰基、烷基、卤代烷基、烷氧基、卤代烷氧基、烷氧基烷基、卤代烷氧基烷基或氨基羰基取代; 且杂环可通过-O-、-S-、-(CH2)p、-C(O)-或-O-(CR3R4)q连接到苯环上; R1和R2独立地选自取代有卤代烷基或卤代烷氧基的苯基或吡啶基; R3和R4独立地选自氢和甲基; n和p独立地为1、2或3; q为1或2; 前提是R1和R2中至少有一个在对位上被取代; R3和R4中不超过两个是甲基; 每个脂肪族基团含有不超过4个碳原子; 卤素表示溴、氯或氟; 每个杂环含有1至4个氮原子，或1或2个氧或硫原子，或1或2个氮原子和一个氧或硫原子; 以及相应的N-氧化物和农业可接受的盐。
• Insecticidal N-(substituted arylmethyl)-4-[bis(substituted phenyl or
  申请人：FMC Corporation

  公开号：US06030987A1

  公开（公告）日：2000-02-29

  Compounds of structure (I) ##STR1## the corresponding N-oxides and agriculturally acceptable salts are disclosed as effective insecticides. In said formula, U is --(CH.sub.2)n--; Q is hydroxy, R is formula (II) ##STR2## in which V, W, Y and Z are hydrogen; X is a five- or six-membered heterocycle optionally substituted; and the heterocycle is optionally connected to the phenyl ring through a --O--, --S-- --CH.sub.2)p--, or --O(CR.sup.3 R.sup.4)q linkage; R.sup.1 and R.sup.2 are independently selected from phenyl or pyridyl substituted with haloalkyl or haloalkoxy; R.sup.3, R.sup.4, n, p, and 1 are as defined in the specification.

  结构式（I）的化合物##STR1##及其相应的N-氧化物和农业上可接受的盐被披露为有效的杀虫剂。在该式中，U为--(CH.sub.2)n--；Q为羟基；R为式（II）##STR2##其中V、W、Y和Z为氢；X为一个五元或六元杂环，可选地被取代；并且该杂环可通过--O--、--S--、--CH.sub.2)p--或--O(CR.sup.3R.sup.4)q连接到苯环上；R.sup.1和R.sup.2分别选择取代有卤代烷基或卤代氧基的苯基或吡啶基；R.sup.3、R.sup.4、n、p和1如规范中所定义。
• US06184234B2
  申请人：——

  公开号：——

  公开（公告）日：——
• INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED PHENYL OR PYRIDYL)METHYL]PIPERIDINES
  申请人：FMC CORPORATION

  公开号：EP0844825B1

  公开（公告）日：2002-11-27