2-(4-chlorophenyl)-2-[(1,2,4-triazol-1-yl)methyl]hexanoic acid | 152718-60-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-(4-chlorophenyl)-2-[(1,2,4-triazol-1-yl)methyl]hexanoic acid
• 英文别名: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanoic acid
• CAS: 152718-60-0
• 化学式: C₁₅H₁₈ClN₃O₂
• 分子量: 307.78
• InChiKey: OUQLMQDPSDOPFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  68
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-chlorophenyl)-2-[(1,2,4-triazol-1-yl)methyl]hexanoic acid 以 四氢呋喃 为溶剂， 以66.3%的产率得到2-(4-chlorophenyl) 2-[(1,2,4-triazol-1-yl)methyl]hexan-1-ol
  参考文献：
  名称：

  Fungicidal 2-aryl-2,2-disubstituted ethyl-1,2,4-triazoles

  摘要：

  2-芳基或2-杂环基-2,2-二取代乙基-1,2,4-三唑已被证明具有杀真菌活性。

  公开号：

  US05358939A1

文献信息

• Fungicidal and herbicidal triazoles
  申请人：Rohm and Haas Company

  公开号：US05264415A1

  公开（公告）日：1993-11-23

  Compounds of the formula ##STR1## are fungicides and herbicides when Z is alkyl, cycloalkyl, aryl, or aralkyl; Q is a triazolyl; X is an aryl group or a heterocyclic group; and W is a variety of functional groups.

  当Z为烷基、环烷基、芳基或芳基烷基时，化合物的分子式为##STR1##，是杀菌剂和除草剂；Q为三唑基；X为芳基或杂环基；W为多种功能基团。
• Fungicidal (2-aryl-2-substituted)ethyl-1,2,4-triazoles
  申请人：Rohm and Haas Company

  公开号：US05252594A1

  公开（公告）日：1993-10-12

  This invention relates to novel (2-aryl-2-substituted)ethyl-1,2,4-triazoles and the enantiomorphs, acid addition salts and metal salt complexes thereof, as well as their method of preparation and their use as highly active broad-spectrum systemic fungicides.

  这项发明涉及新型(2-芳基-2-取代)乙基-1,2,4-三唑及其对映体、酸加合盐和金属盐络合物，以及其制备方法和作为高效广谱系统杀菌剂的用途。
• Fungicidal (2-aryl-2-substituted) ethyl-1,2,4-triazoles
  申请人：ROHM AND HAAS COMPANY

  公开号：EP0575122A2

  公开（公告）日：1993-12-22

  This invention relates to novel (2-aryl-2-substituted)ethyl-1,2,4-triazoles and the enantiomorphs, acid addition salts and metal salt complexes thereof, having the formula wherein    Ar is phenyl, naphthyl, pyridyl, thienyl or furyl, each optionally substituted with halogen, trihalomethyl, cyano, (C₁-C₄)alkyl, halo(C₁-C₄)alkyl, (C₁-C₄)alkoxy, halo(C₁-C₄)alkoxy, phenoxy or phenyl;    Z is (C₂-C₁₂)alkyl, cyclo(C₃-C₈)alkyl(C₁-C₅)alkyl, cyclo(C₃-C₈)alkyl, (C₆-C₁₀)aryl, or (C₆-C₁₀)aryl(C₁-C₅)alkyl, each optionally substituted with halogen, trihalomethyl, cyano, (C₁-C₄)alkyl, halo(C₁-C₄)alkyl, (C₁-C₄)alkoxy, halo(C₁-C₄)alkoxy, phenoxy or phenyl;    Q is a triazolyl optionally substituted wih up to two substituents which are independently halogen or (C₁-C₄)alkyl; and    X is -N≡C, -CH₂N≡C, -CHO, -CON₃, -CH=NOR, -CH₂NHCHO, -NH₂, -NHCHO, -NHCOCH₃, -NHCO₂R, -NHCONHR, -CH=C(R)₂, -N=C(R)₂, -NCO, -NO₂, or wherein R is independently hydrogen or (C₁-C₅)alkyl;    and the agronomically acceptable enantiomorphs, acid addition salts, and metal salt complexes thereof.

  本发明涉及新型(2-芳基-2-取代)乙基-1,2,4-三唑及其对映体、酸加成盐和金属盐络合物，其式为 其中 Ar 是苯基、萘基、吡啶基、噻吩基或呋喃基，各自任选被卤素、三卤甲基、氰基、(C₁-C₄)烷基、卤代(C₁-C₄)烷基、(C₁-C₄)烷氧基、卤代(C₁-C₄)烷氧基、苯氧基或苯基取代； Z 是(C₂-C₁₂)烷基、环(C₃-C₈)烷基(C₁-C₅)、环(C₃-C₈)烷基、(C₆-C₁₀)芳基或(C₆-C₁₀)芳基(C₁-C₅)烷基、各自任选被卤素、三卤甲基、氰基、(C₁-C₄)烷基、卤代(C₁-C₄)烷基、(C₁-C₄)烷氧基、卤代(C₁-C₄)烷氧基、苯氧基或苯基取代； Q 是任选被最多两个取代基取代的三唑基，这两个取代基独立地为卤素或 (C₁-C₄)烷基；以及 X 是-N≡C、-CH₂N≡C、-CHO、-CON₃、-CH=NOR、-CH₂NHCHO、-NH₂、-NHCHO、-NHCOCH₃、-NHCO₂R、-NHCONHR、-CH=C(R)₂、-N=C(R)₂、-NCO、-NO₂，或 其中 R 独立为氢或 (C₁-C₅)烷基； 及其农艺学上可接受的对映体、酸加成盐和金属盐络合物。
• Fungicidal 1,2,4-triazoles
  申请人：ROHM AND HAAS COMPANY

  公开号：EP0576201A2

  公开（公告）日：1993-12-29

  2-Aryl or 2-heterocyclyl-2, 2-disubstituted ethyl-1,2,4-triazoles have been shown to have fungicidal activity. They have the formula wherein X is (C₆-C₁₀)aryl optionally substituted with up to three substituents, preferably with up to two substituents, which are independently hydroxy, halo, acetoxy, trihalomethyl, (C₁-C₄)alkyl, (C₁-C₄) alkoxy, (C₁-C₄)alkylthio, (C₁-C₄)alkylsulfinyl, (C₁-C₄)alkylsulfonyl, (C₁-C₄)-alkoxy(C₁-C₄)alkoxy, (C₁-C₄)alkylcarbonyl, (C₂-C₄)alkynyloxy, (C₂-C₈)alkenyl, (C₂-C₄)-alkenyloxy, (C₂-C₈)alkynyl, phenyl optionally monosubstituted with halo, alkyl or alkoxy, phenoxy optionally monosubstituted with halo, alkyl or alkoxy; or X is a 5 and 6 membered heterocyclic ring having up to three heteroatoms which are independently nitrogen, oxygen or sulfur, optionally substituted with up to two of (C₁-C₄)alkyl and/or halo,    Q is 1-(1,2,4-triazolyl) or 4-(1,2,4-triazolyl) each optionally substituted with up to two substituents which are independently halo, (C₁-C₄)alkyl, nitro, cyano, mercapto or (C₁-C₅)alkylmercapto;    Z is (C₁-C₁₂)alkyl, halo(C₁-C₁₂)alkyl, (C₂-C₈)alkenyl, halo(C₂-C₈)alkenyl, (C₂-C₈)alkynyl, (C₃-C₈)cycloalkyl, (C₅-C₈)cycloalkenyl, (C₃-C₈)cycloalkyl(C₁-C₆)alkyl, (C₆-C₁₀)aryl, (C₇-C₁₁)aralkyl, heterocyclyl as defined above for X or heterocyclyl(C₁-C₆)alkyl, provided X and Z are not both heterocyclyl groups;    W is -OR, -OCOR'', -OCOY, -OCOR'Y, -OCOR'OR'', -OR'OCOR'', -OR'OR, -NH₂, -NHCOR, -NHCOR'Y, -NHCOY, -OCONHY, -OSO₂A, -OSiA₃, -OPO(OA)₂ or halo, wherein    A is (C₁-C₆)alkyl;    R is (C₁-C₁₂)alkyl, X, Y-alkyl, (C₃-C₈)alkenyl, (C₃-C₈)alkynyl, (C₃-C₈)cycloalkyl, cyano(C₁-C₆)alkyl or epoxy(C₁-C₆)alkyl, all optionally halogenated, or is hydrogen, provided that when Z is methyl, R is not haloalkyl;    R' is (-CH(CH₃)-)p(-CH₂-)m or (-CH₂-),CH=CH(-CH₂-)t;    m is an integer from 0 to 6;    p is 0 or 1, provided m and p are not both 0;    s and t are each independently integers of from 0 to 3;    R'' is (C₁-C₂)-trialkylsilyl(C₁-C₄)alkyl, phenyl, (C₁-C₆)alkyl or (C₂-C₄)alkenyl, all optionally halogenated, or is hydrogen;    R''' is hydrogen or (C₁-C₆)alkyl;    n is an integer from 1 to 6; and    Y is phenyl, naphthyl, piperidinyl, triazolyl, pyrazinyl, pyrimidinyl, phthalimido, morpholinyl, pyridyl, thienyl, furyl or (C₃-C₈)cycloalkyl, all optionally substituted with the substituents defined for X.

  2-芳基或 2-异环-2，2-二取代乙基-1,2,4-三唑已被证明具有杀菌活性。它们的化学式为 其中 X 是 (C₆-C₁₀)芳基，可任选被最多三个取代基取代，最好是被最多两个取代基取代、其中独立地为羟基、卤代、乙酰氧基、三卤甲基、(C₁-C₄)烷基、(C₁-C₄)烷氧基、(C₁-C₄)烷硫基、(C₁-C₄)烷基亚磺酰基、(C₁-C₄)烷磺酰基、(C₁-C₄)-烷氧基(C₁-C₄)烷氧基、(C₁-C₄)烷羰基、(C₂-C₄)烷炔氧基、(C₂-C₈)烯基、(C₂-C₄)-烯氧基、(C₂-C₈)炔基、任选与卤、烷基或烷氧基单取代的苯基、任选与卤、烷基或烷氧基单取代的苯氧基；或 X 是具有最多三个杂原子的 5 和 6 位杂环，这些杂原子独立地为氮、氧或硫，可选地被最多两个 (C₁-C₄)烷基和/或卤素取代、 Q 是 1-(1,2,4-三唑基)或 4-(1,2,4-三唑基)，各自任选被最多两个独立为卤代、(C₁-C₄)烷基、硝基、氰基、巯基或 (C₁-C₅)烷基巯基的取代基取代； Z 是(C₁-C₁₂)烷基、卤代(C₁-C₁₂)烷基、(C₂-C₈)烯基、卤代(C₂-C₈)烯基、(C₂-C₈)炔基、(C₃-C₈)环烷基、(C₅-C₈)环烯基、(C₃-C₈)环烷基(C₁-C₆)烷基、(C₆-C₁₀)芳基、(C₇-C₁₁)芳烷基、如上对 X 所定义的杂环烷基或杂环烷基(C₁-C₆)烷基，条件是 X 和 Z 并非都是杂环烷基； W 是-OR、-OCOR''、-OCOY、-OCOR'Y、-OCOR'OR''、-OR'OCOR''、-OR'OR、-NH₂、-NHCOR、-NHCOR'Y、-NHCOY、-OCONHY、-OSO₂A、-OSA₃、-OPO(OA)₂ 或卤素，其中 A 是 (C₁-C₆)烷基； R 是 (C₁-C₁₂)烷基、X、Y-烷基、(C₃-C₈)烯基、(C₃-C₈)炔基、(C₃-C₈)环烷基、氰基(C₁-C₆)烷基或环氧(C₁-C₆)烷基，均可选卤代，或为氢，但当 Z 为甲基时，R 不是卤代烷基； R' 是 (-CH(CH₃)-)p(-CH₂-)m 或 (-CH₂-),CH=CH(-CH₂-)t； m 是 0 至 6 的整数； p 为 0 或 1，条件是 m 和 p 均不为 0； s 和 t 分别独立地为 0 至 3 的整数； R'' 是 (C₁-C₂)- 三烷基硅烷基 (C₁-C₄)烷基、苯基、(C₁-C₆)烷基或 (C₂-C₄)烯基，均可选卤代，或者是氢； R''' 是氢或 (C₁-C₆)烷基； n 是 1 到 6 的整数；以及 Y 是苯基、萘基、哌啶基、三唑基、吡嗪基、嘧啶基、邻苯二甲酰亚胺基、吗啉基、吡啶基、噻吩基、呋喃基或 (C₃-C₈)cycloalkyl ，均任选被 X 所定义的取代基取代。
• JPH0680517A
  申请人：——

  公开号：JPH0680517A

  公开（公告）日：1994-03-22