1-{4-[2-(3-Chloro-phenylamino)-pyrimidin-4-yl]-pyridin-2-yl}-pyrrolidin-2-one | 442162-43-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-{4-[2-(3-Chloro-phenylamino)-pyrimidin-4-yl]-pyridin-2-yl}-pyrrolidin-2-one
• 英文别名: 1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl]pyrrolidin-2-one
• CAS: 442162-43-8
• 化学式: C₁₉H₁₆ClN₅O
• 分子量: 365.822
• InChiKey: QVKIWESPZLVVDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  71
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-(3-氯苯基)-4-(2-氯吡啶-4-基)嘧啶-2-胺 以 2-吡咯烷酮 为溶剂， 生成 1-{4-[2-(3-Chloro-phenylamino)-pyrimidin-4-yl]-pyridin-2-yl}-pyrrolidin-2-one
  参考文献：
  名称：

  Microbiocidal n-phenyl-n-[4-(4-pyridyl-2-pyrimidin-2-yl]-amine derivatives

  摘要：

  本发明涉及一种新型的N-苯基-4-(4-吡啶基)-2-嘧啶胺衍生物，其通式为(1)，其中(m+p)的和为0、1、2或3；n和q相互独立，为0或1，(m+p+q)的和为1、2、3或4；R1为氢、卤素、烷氧基、卤代烷基、卤代烷氧基或烷基；R2为氢、C1-C6烷基、C1-C6卤代烷基或C1-C6烷氧基；R2A为氢、C1-C6烷基、C3-C4烯基或C3-C4炔基；R3、R4、R5和R6中的每一个，独立于其他，为氢、C1-C6烷基、C1-C6卤代烷基、羟基-C1-C6烷基或C1-C6烷氧基-C1-C6烷基，或环成员CR3R4或CR5R6或CR2R2A中的每一个，相互独立，为一个羰基基团(CO)或一个C&Sgr;基团；X为C═O、C═S、S═O或O═S=O；Y为O、S、C═O、CH2A、—N(R8)—、—O—N(R8)—、—N(R8)—O—或NH—；R7为氢、C1-C4烷基、C3-C4烯基、C3-C4炔基、—CH2OR8、CH2SR8、—C(O)R8、—C(O)OR8、SO2R8、SOR8或SR8；R8为C1-C8烷基、C1-C8烷氧基烷基、C1-C8卤代烷基或苯基C1-C2烷基，其中苯基可被选自卤素或C1-C4烷基的最多三个基团取代；或其盐。本发明还涉及该化合物的制备、以至少一种该化合物为活性成分的农药组合物的制备，以及该组合物的制备和使用该化合物或组合物在控制或预防植物受到植物病原微生物，特别是真菌的侵染方面的用途。

  公开号：

  US20040063937A1

文献信息

• Microbiocidal N-phenyl-N-[4-(4-pyridyl-2-pyrimidin-2-yl]-amine derivatives
  申请人：Syngenta Crop Protection, Inc.

  公开号：US07074787B2

  公开（公告）日：2006-07-11

  The invention relates to novel N-phenyl-4-(4-pyridyl)-2-pyrimidineamine derivatives of the general formula (I) wherein the sum of (m+p) together is 0, 1, 2 or 3; n and q are independently of each other 0 or 1, and the sum of (m+p+q) together is 1, 2, 3 or 4; R1 is hydrogen, halogen, alkoxy, haloalkyl, haloalkoxy or alkyl; R2 is hydrogen, C1–C6-alkyl, C1–C6-haloalkyl or C1–C6-alkoxy; R2A is hydrogen, C1–C6-alkyl, C3–C4-alkenyl or C3–C4-alkynyl; each of R3, R4, R5 and R6 is, independently of the others, hydrogen, C1–C6-alkyl, C1–C6-haloalkyl, hydroxy-C1–C6-alkyl or C1–C6-alkoxy-C1–C6-alkyl, or the ring members CR3R4 or CR5R6 or CR2R2A are independently of each other a carbonyl group (C═O) or a group C═S; X is C═O, C═S, S═O or O═S═O; Y is O, S, C═O, CH2, —N(R8)—, —O—N(R8)—, —N(R8)—O— or NH—; R7 is hydrogen, C1–C4-alkyl, C3–C4-alkenyl, C3–C4-alkynyl, —CH2OR8, CH2SR8, —C(O)R8, —C(O)OR8, SO2R8, SOR8 or SR8; and R8 is C1–C8-alkyl, C1–C8-alkoxyalkyl, C1–C8 haloalkyl or phenylC1–C2-alkyl wherein the phenyl may be substituted by up to three groups selected from halo or C1–C4-alkyl; or a salt thereof. The invention also relates to the preparation of the compounds and to agrochemical compositions comprising at least one of those compounds as active ingredient as well as the preparation of the said compositions and to the use of the compounds or of the compositions in controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi.

  本发明涉及一种新的N-苯基-4-(4-吡啶基)-2-嘧啶胺衍生物，其通式为(I)，其中(m+p)的总和为0、1、2或3；n和q彼此独立，为0或1，(m+p+q)的总和为1、2、3或4；R1为氢、卤素、烷氧基、卤代烷基、卤代烷氧基或烷基；R2为氢、C1-C6烷基、C1-C6卤代烷基或C1-C6烷氧基；R2A为氢、C1-C6烷基、C3-C4烯基或C3-C4炔基；R3、R4、R5和R6中的每一个独立地为氢、C1-C6烷基、C1-C6卤代烷基、羟基-C1-C6烷基或C1-C6烷氧基-C1-C6烷基，或环成员CR3R4或CR5R6或CR2R2A彼此独立地为羰基(C═O)或C═S基团；X为C═O、C═S、S═O或O═S═O；Y为O、S、C═O、CH2、—N(R8)—、—O—N(R8)—、—N(R8)—O—或NH—；R7为氢、C1-C4烷基、C3-C4烯基、C3-C4炔基、—CH2OR8、CH2SR8、—C(O)R8、—C(O)OR8、SO2R8、SOR8或SR8；R8为C1-C8烷基、C1-C8烷氧基烷基、C1-C8卤代烷基或苯基C1-C2烷基，其中苯基可以被最多三个来自卤素或C1-C4烷基的基团取代；或其盐。本发明还涉及该化合物的制备，以及包含该化合物中至少一种作为活性成分的农药组合物的制备，以及在控制或预防植物被植物病原微生物，特别是真菌侵染方面使用该化合物或组合物。
• MICROBIOCIDAL N-PHENYL-N-[4-(4-PYRIDYL)-2-PYRIMIDIN-2-YL]-AMINE DERIVATIVES
  申请人：Syngenta Participations AG

  公开号：EP1349849B1

  公开（公告）日：2004-09-15
• US7074787B2
  申请人：——

  公开号：US7074787B2

  公开（公告）日：2006-07-11
• [EN] MICROBIOCIDAL N-PHENYL-N-[4-(4-PYRIDYL-2-PYRIMIDIN-2-YL]-AMINE DERIVATIVES<br/>[FR] DERIVES DE N-PHENYL-N-[4-(4-PYRIDYL-2-PYRIMIDIN-2-YL]-AMINE MICROBICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2002053560A1

  公开（公告）日：2002-07-11

  The invention relates to novel N-phenyl-4-(4-pyridyl)-2-pyrimidineamine derivatives of the general formula (I) wherein the sum of (m + p) together is 0, 1, 2 or 3; n and q are independently of each other 0 or 1, and the sum of (m + p + q) together is 1, 2, 3 or 4; R1 is hydrogen, halogen, alkoxy, haloalkyl, haloalkoxy or alkyl; R2 is hydrogen, C1-C6-alkyl, C1-C6-haloalkyl or C1-C6-alkoxy; R2A is hydrogen, C1-C6-alkyl, C3-C4-alkenyl or C3-C4-alkynyl; each of R3, R4, R5 and R6 is, independently of the others, hydrogen, C1-C6-alkyl, C1-C6-haloalkyl, hydroxy-C1-C6-alkyl or C1-C6-alkoxy-C1-C6-alkyl, or the ring members CR3R4 or CR5R6 or CR2R2A are independently of each other a carbonyl group (C=O) or a group C=S; X is C=O, C=S, S=O or O=S=O; Y is O, S, C=O, CH2, -N(R8)-, -O-N(R8)-, -N(R8)-O- or NH-; R7 is hydrogen, C1-C4-alkyl, C3-C4-alkenyl, C3-C4-alkynyl, -CH2OR8, CH2SR8, -C(O)R8, -C(O)OR8, SO2R8, SOR8 or SR8; and R8 is C1-C8-alkyl, C1-C8-alkoxyalkyl, C1-C8 haloalkyl or phenylC1-C2-alkyl wherein the phenyl may be substituted by up to three groups selected from halo or C1-C4-alkyl; or a salt thereof. The invention also relates to the preparation of the compounds and to agrochemical compositions comprising at least one of those compounds as active ingredient as well as the preparation of the said compositions and to the use of the compounds or of the compositions in controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi.
• Microbiocidal n-phenyl-n-[4-(4-pyridyl-2-pyrimidin-2-yl]-amine derivatives
  申请人：——

  公开号：US20040063937A1

  公开（公告）日：2004-04-01

  The invention relates to novel N-phenyl-4-(4-pyridyl)-2-pyrimidineamine derivatives of the general formula (1) wherein the sum of (m+p) together is 0, 1, 2 or 3; n and q are independently of each other 0 or 1, and the sum of (m+p+q) together is 1, 2, 3 or 4; R 1 is hydrogen, halogen, alkoxy, haloalkyl, haloalkoxy or alkyl; R 2 is hydrogen, C 1 -C 6 -alkyl, C 1 -C 6 -haloalkyl or C 1 -C 6 -alkoxy; R 2A is hydrogen, C 1 -C 6 -alkyl, C 3 -C 4 -alkenyl or C 3 -C 4 -alkynyl; each of R 3 , R 4 , R 5 and R 6 is, independently of the others, hydrogen, C 1 -C 6 -alkyl, C 1 -C 6 -haloalkyl, hydroxy-C 1 -C 6 -alkyl or C 1 -C 6 -alkoxy-C 1 -C 6 -alkyl, or the ring members CR 3 R 4 or CR 5 R 6 or CR 2 R 2A are independently of each other a carbonyl group (C═O) or a group C═S; X is C═O, C═S, S═O or O═S=O; Y is O, S, C═O, CH 2A , —N(R 8 )—, —O—N(R 8 )—, —N(R 8 )—O— or NH—; R 7 is hydrogen, C 1 -C 4 -alkyl, C 3 -C 4 -alkenyl, C 3 -C 4 -alkynyl, —CH 2 OR 8 , CH 2 SR 8 , —C(O)R 8 , —C(O)OR 8 , SO 2 R 8 , SOR 8 or SR 8 ; and R 8 is C 1 -C 8 -alkyl, C 1 -C 8 -alkoxyalkyl, C 1 -C 8 haloalkyl or phenylC 1 -C 2 -alkyl wherein the phenyl may be substituted by up to three groups selected from halo or C 1 -C 4 -alkyl; or a salt thereof. The invention also relates to the preparation of the compounds and to agrochemical compositions comprising at least one of those compounds as active ingredient as well as the preparation of the said compositions and to the use of the compounds or of the compositions in controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi.

  本发明涉及一种新型的N-苯基-4-(4-吡啶基)-2-嘧啶胺衍生物，其通式为(1)，其中(m+p)的和为0、1、2或3；n和q相互独立，为0或1，(m+p+q)的和为1、2、3或4；R1为氢、卤素、烷氧基、卤代烷基、卤代烷氧基或烷基；R2为氢、C1-C6烷基、C1-C6卤代烷基或C1-C6烷氧基；R2A为氢、C1-C6烷基、C3-C4烯基或C3-C4炔基；R3、R4、R5和R6中的每一个，独立于其他，为氢、C1-C6烷基、C1-C6卤代烷基、羟基-C1-C6烷基或C1-C6烷氧基-C1-C6烷基，或环成员CR3R4或CR5R6或CR2R2A中的每一个，相互独立，为一个羰基基团(CO)或一个C&Sgr;基团；X为C═O、C═S、S═O或O═S=O；Y为O、S、C═O、CH2A、—N(R8)—、—O—N(R8)—、—N(R8)—O—或NH—；R7为氢、C1-C4烷基、C3-C4烯基、C3-C4炔基、—CH2OR8、CH2SR8、—C(O)R8、—C(O)OR8、SO2R8、SOR8或SR8；R8为C1-C8烷基、C1-C8烷氧基烷基、C1-C8卤代烷基或苯基C1-C2烷基，其中苯基可被选自卤素或C1-C4烷基的最多三个基团取代；或其盐。本发明还涉及该化合物的制备、以至少一种该化合物为活性成分的农药组合物的制备，以及该组合物的制备和使用该化合物或组合物在控制或预防植物受到植物病原微生物，特别是真菌的侵染方面的用途。