2-(3,5-dichlorophenoxy)-N-(1-methoxy-6-METHYLHEPT-4-YN-6-YL)butyramide | 701921-64-4

• 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: 2-(3,5-dichlorophenoxy)-N-(1-methoxy-6-METHYLHEPT-4-YN-6-YL)butyramide
• 英文别名: 2-(3,5-dichlorophenoxy)-N-(1-methoxy-6-methylhept-4-yn-6-yl) butyramide；2-(3,5-dichlorophenoxy)-N-(7-methoxy-2-methylhept-3-yn-2-yl)butanamide
• CAS: 701921-64-4
• 化学式: C₁₉H₂₅Cl₂NO₃
• 分子量: 386.318
• InChiKey: LUISCQHLANDQMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  25
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(3, 5-DICHLOROPHENOXY)-N-(1-CHLORO-6-methylhept-4-yn-6-yl) butyramide 、 sodium methylate 在 sodium iodide 作用下， 反应 28.0h， 生成 2-(3,5-dichlorophenoxy)-N-(1-methoxy-6-METHYLHEPT-4-YN-6-YL)butyramide
  参考文献：
  名称：

  [EN] FUNGICIDES
  [FR] FONGICIDES

  摘要：

  通用公式（1）的杀真菌化合物：其中X、Y和Z独立地为H、卤素、Cl-4烷基、卤代（C1-4）烷基、C2-4烯基、卤代（C2-4）烯基、C24炔基、卤代（C2-4）炔基、C1-4烷氧基、卤代（C1-4）烷氧基、-S（O）n（C1-4）烷基，其中n为0、1或2，烷基基团可选择地用氟取代，-OSO2（C1-4）烷基，其中烷基基团可选择地用氟、氰基、硝基、C1-4烷氧羰基、-CONR'R'、-COR'、-NR'COR'或-NR'COOR''取代，其中R'和R'独立地为H或C1-4烷基，R''为Cl-4烷基，前提是X和Z中至少有一个不为H；R1为Cl-4烷基、C2-4烯基或C2-4炔基，其中烷基、烯基和炔基基团可选择地在其末端碳原子上用一个、两个或三个卤素原子、氰基、C1-4烷基羰基、C1-4烷氧羰基或羟基取代；R2为H、C1-4烷基、C1-4烷氧甲基或苄氧甲基，其中苄基部分的苯环可选择地用CI-4烷氧基取代；R3和R4独立地为H、C1-3烷基、C2-3烯基或C2-3炔基，前提是两者均不为H，且当两者均不为H时，它们的碳原子总数不超过4，或者R3和R4与它们所连接的碳原子结合形成一个含有一个氧、硫或氮原子的3或4元环状环，可选择地用卤素或C1-4烷基取代；R5为未取代的C3-4烷基、未取代的C3-6环烷基或Cl-4烷基或C3-6环烷基，其中烷基和环烷基基团可用卤素、羟基、C1-6烷氧基、氰基、C1-4烷基羰氧基、氨基羰氧基、单取代或双（C1-4）烷基氨基羰氧基、-S（O）'(C1-6)烷基（其中n为0、1或2）、三唑基、三（C1-4）烷基硅氧基、可选择取代的苯氧基、可选择取代的噻吩氧基、可选择取代的苄氧基或可选择取代的噻吩基甲氧基，其中可选择取代的苯环和噻吩环的苯氧基、噻吩氧基、苄氧基和噻吩基甲氧基可选择地用一个、两个或三个取代基选自卤素、羟基、巯基、C1-4烷基、C2-4烯基、C2-4炔基、C1-4烷氧基、C2-4烯氧基、C2-4炔氧基、卤代（C1-4）烷基、卤代（C1-4）烷氧基、C1-4烷硫基、卤代（C1-4）烷硫基、羟基（C1-4）烷基、C1-4烷氧基（C1-4）烷基、C3-6环烷基、C3-6环烷基（C1-4）烷基、苯氧基、苄氧基、苯甲酰氧基、氰基、异氰基、硫氰酸基、异硫氰酸基、硝基、-NR-R'、-NHCORm、-NHCONRmR'、-CONRmR'、-S02Rm、-OS02Rm、-CORM、-CR'=NR'或-N=CRmR'，其中R''和R'独立地为氢、CI-4烷基、卤代（C1-4）烷基、C1-4烷氧基、卤代（C1-4）烷氧基、C1-4烷硫基、C3-6环烷基、C3-6环烷基（C 1-4）烷基、苯基或苄基，苯基和苄基可选择地用卤素、C1-4烷基或C1-4烷氧基取代。

  公开号：

  WO2004048315A1

文献信息

• Fungicides
  申请人：Salmon Roger

  公开号：US20060240988A1

  公开（公告）日：2006-10-26

  Fungicidal compounds of the general formula (1): wherein X, Y and Z are independently H, halogen, C 1-4 alkyl, halo(C 1-4 )alkyl, C 2-4 alkenyl, halo(C 2-4 )alkenyl, C24 alkynyl, halo(C 2-4 )alkynyl, C 1-4 alkoxy, halo(C 1-4 )alkoxy, —S(O) n (C 1-4 )alkyl where n is 0, 1 or 2 and the alkyl group is optionally substituted with fluoro, —OS0 2 (C 1-4 )alkyl where the alkyl group is optionally substituted with fluoro, cyano, nitro, C 1-4 alkoxycarbonyl, —CONR′R″, —COR′, —NR′COR″ or —NR′COOR′″ where R′ and R″ are independently H or C 1-4 , alkyl and R′″ is C 1-4 alkyl, provided that at least one of X and Z is other than H; R 1 is C 1-4 alkyl, C 2-4 alkenyl or C 2-4 alkynyl in which the alkyl, alkenyl and alkynyl groups are optionally substituted on their terminal carbon atom with one, two or three halogen atoms, with a cyano group, with a C 1-4 alkylcarbonyl group, with a C 1-4 alkoxycarbonyl group or with a hydroxy group; R 2 is H, C 1-4 alkyl, C 1-4 alkoxymethyl or benzyloxymethyl in which the phenyl ring of the benzyl moiety is optionally substituted with C1-4 alkoxy; R 3 and R 4 are independently H, C 1-3 alkyl, C 2-3 alkenyl or C 2-3 alkynyl provided that both are not H and that when both are other than H their combined total of carbon atoms does not exceed 4, or R 3 and R 4 join with the carbon atom to which they are attached to form a 3 or 4 membered carbocyclic ring optionally containing one 0, S or N atom and optionally substituted with halo or C 1-4 alkyl; and R 5 is unsubstituted C 3-4 alkyl, unsubstituted C 3-6 cycloalkyl or C 1-4 alkyl or C 3-6 cycloalkyl in which the alkyl and cycloalkyl groups are substituted with halo, hydroxy, C 1-6 alkoxy, cyano, C 1-4 alkylcarbonyloxy, aminocarbonyloxy, mono- or di(C 1-4 )alkylaminocarbonyloxy, —S(O)″(C 1-6 )alkyl where n is 0, 1 or 2, triazolyl, tri(C 1-4 )alkylsilyloxy, optionally substituted phenoxy, optionally substituted thienyloxy, optionally substituted benzyloxy or optionally substituted thienyl-methoxy, in which the optionally substituted phenyl and thienyl rings of phenoxy, thienyloxy, benzyloxy and thienylmethoxy are optionally substituted with one, two or three substituents selected from halo, hydroxy, mercapto, C 1-4 alkyl, C 2-4 alkenyl, C 2-4 alkynyl, C1-4 alkoxy, C 2-4 alkenyloxy, C 2-4 alkynyloxy, halo(C 1-4 )alkyl, halo(C 1-4 )alkoxy, C 1-4 alkylthio; halo(C 1-4 )alkylthio, hydroxy(C 1-4 )alkyl, C 1-4 alkoxy(C 1-4 )alkyl, C 3-6 cycloalkyl, C 3-6 cycloalkyl(C 1-4 )alkyl, phenoxy, benzyloxy, benzoyloxy, cyano, isocyano, thiocyanato, isothiocyanato, nitro, —NR—R′, —NHCOR m , —NHCONR m R″, —CONRmR″, —S02R m , —OS02R m , —COR M , —CR′═NR″ or —N═CR m R″, in which R′″ and R″ are independently hydrogen, CI-4 alkyl, halo(C 1-4 )alkyl, C1-4 alkoxy, halo(C 1-4 )alkoxy, C 1-4 alkylthio, C 3-6 cycloalkyl, C 3-6 cycloalkyl(C 1-4 )alkyl, phenyl or benzyl, the phenyl and benzyl groups being optionally substituted with halogen, C 1-4 alkyl or C 1-4 alkoxy.

  通式（1）的杀真菌化合物：其中X、Y和Z独立地为H、卤素、C1-4烷基、卤代（C1-4）烷基、C2-4烯基、卤代（C2-4）烯基、C24炔基、卤代（C2-4）炔基、C1-4烷氧基、卤代（C1-4）烷氧基、-S（O）n（C1-4）烷基，其中n为0、1或2，烷基可选地被氟代取代，-OS02（C1-4）烷基，其中烷基可选地被氟代、氰基、硝基、C1-4烷氧羰基、-CONR′R″、-COR′、-NR′COR″或-NR′COOR′″，其中R′和R″独立地为H或C1-4烷基，R′″为C1-4烷基，前提是X和Z中至少有一个不是H；R1为C1-4烷基、C2-4烯基或C2-4炔基，在其中烷基、烯基和炔基的末端碳原子上可选地用一个、两个或三个卤素原子、一个氰基、一个C1-4烷基羰基、一个C1-4烷氧羰基或一个羟基取代；R2为H、C1-4烷基、C1-4烷氧甲基或苄氧甲基，其中苄基部分的苯环可选地被C1-4烷氧基取代；R3和R4独立地为H、C1-3烷基、C2-3烯基或C2-3炔基，前提是两者都不是H，且当两者都不是H时，它们连接的碳原子上的总碳数不超过4，或者R3和R4与它们附着的碳原子结合形成一个3或4成员的碳环，可选地含有一个氧、硫或氮原子，并可选地用卤素或C1-4烷基取代；R5为未取代的C3-4烷基、未取代的C3-6环烷基或C1-4烷基或C3-6环烷基，在其中烷基和环烷基可用卤素、羟基、C1-6烷氧基、氰基、C1-4烷基羰酰氧基、氨基羰酰氧基、单烷基或二烷基（C1-4）氨基羰酰氧基、-S（O）″（C1-6）烷基，其中n为0、1或2，三唑基、三（C1-4）烷基硅氧基、可选地取代的苯氧基、可选地取代的噻吩氧基、可选地取代的苄氧基或可选地取代的噻吩基甲氧基，其中可选地取代的苯环和噻吩环的苯环和噻吩环可选地用一个、两个或三个取代基从卤素、羟基、巯基、C1-4烷基、C2-4烯基、C2-4炔基、C1-4烷氧基、C2-4烯氧基、C2-4炔氧基、卤代（C1-4）烷基、卤代（C1-4）烷氧基、C1-4烷硫基、卤代（C1-4）烷硫基、羟基（C1-4）烷基、C1-4烷氧基（C1-4）烷基、C3-6环烷基、C3-6环烷基（C1-4）烷基、苯氧基、苄氧基、苯甲酰氧基、氰基、异氰基、硫氰酸根、异硫氰酸根、硝基、-NR-R′、-NHCORm、-NHCONRmR″、-CONRmR″、-S02Rm、-OS02Rm、-CORM、-CR′═NR″或-N═CRmR″，其中R′″和R″独立地为氢、CI-4烷基、卤代（C1-4）烷基、C1-4烷氧基、卤代（C1-4）烷氧基、C1-4烷硫基、C3-6环烷基、C3-6环烷基（C1-4）烷基、苯基或苄基，其中苯基和苄基可选地被卤素、C1-4烷基或C1-4烷氧基取代。
• FUNGICIDES
  申请人：Syngenta Limited

  公开号：EP1567479B1

  公开（公告）日：2009-04-15
• US7420090B2
  申请人：——

  公开号：US7420090B2

  公开（公告）日：2008-09-02
• [EN] FUNGICIDES<br/>[FR] FONGICIDES
  申请人：SYNGENTA LTD

  公开号：WO2004048315A1

  公开（公告）日：2004-06-10

  Fungicidal compounds of the general formula (1): wherein X, Y and Z are independently H, halogen, Cl-4 alkyl, halo(C1-4)alkyl, C2-4 alkenyl, halo(C2-4)alkenyl, C24 alkynyl, halo(C2-4)alkynyl, C1_4 alkoxy, halo(C1-4)alkoxy, -S(O)n(C1-4)alkyl where n is 0, 1 or 2 and the alkyl group is optionally substituted with fluoro, -OS02(C1-4)alkyl where the alkyl group is optionally substituted with fluoro, cyano, nitro, C,1-4 alkoxycarbonyl, -CONR'R', -COR', -NR'COR' or -NR'COOR'' where R' and R' are independently H or C1-4 alkyl and R'' is Cl-4 alkyl, provided that at least one of X and Z is other than H; R1 is Cl-4 alkyl, C2-4 alkenyl or C2-4 alkynyl in which the alkyl, alkenyl and alkynyl groups are optionally substituted on their terminal carbon atom with one, two or three halogen atoms, with a cyano group, with a C1-4 alkylcarbonyl group, with a C1-4 alkoxycarbonyl group or with a hydroxy group; R2 is H, C1-4 alkyl, C1-4 alkoxymethyl or benzyloxymethyl in which the phenyl ring of the benzyl moiety is optionally substituted with CI-4 alkoxy; R3 and R4 are independently H, C1-3 alkyl, C2-3 alkenyl or C2-3 alkynyl provided that both are not H and that when both are other than H their combined total of carbon atoms does not exceed 4, or R3 and R4 join with the carbon atom to which they are attached to form a 3 or 4 membered carbocyclic ring optionally containing one 0, S or N atom and optionally substituted with halo or C1-4 alkyl; and R5 is unsubstituted C3-4 alkyl, unsubstituted C3-6 cycloalkyl or Cl-4 alkyl or C3-6 cycloalkyl in which the alkyl and cycloalkyl groups are substituted with halo, hydroxy, C1-6 alkoxy, cyano, C1-4 alkylcarbonyloxy, aminocarbonyloxy, mono- or di(C1_4)alkylaminocarbonyloxy, -S(O)'(C1-6)alkyl where n is 0, 1 or 2, triazolyl, tri(C1-4)alkylsilyloxy, optionally substituted phenoxy, optionally substituted thienyloxy, optionally substituted benzyloxy or optionally substituted thienyl-methoxy, in which the optionally substituted phenyl and thienyl rings of phenoxy, thienyloxy, benzyloxy and thienylmethoxy are optionally substituted with one, two or three substituents selected from halo, hydroxy, mercapto, C1-4 alkyl, C2-4 alkenyl, C2-4 alkynyl, C1-4 alkoxy, C2-4 alkenyloxy, C2-4 alkynyloxy, halo(C1-4)­alkyl, halo(C1-4)alkoxy, C1-4 alkylthio; halo(C1-4)alkylthio, hydroxy(C1-4)alkyl, C1-4 alkoxy(C1-4)alkyl, C3-6 cycloalkyl, C3-6 cycloalkyl(C1-4)alkyl, phenoxy, benzyloxy, benzoyloxy, cyano, isocyano, thiocyanato, isothiocyanato, nitro, -NR-R', -NHCORm, -NHCONRmR', -CONRmR', -S02Rm, -OS02Rm, -CORM, -CR'=NR' or -N=CRmR', in which R'' and R' are independently hydrogen, CI-4 alkyl, halo(C1-4)alkyl, C1-4 alkoxy, halo(C1-4)alkoxy, C1-4 alkylthio, C3-6 cycloalkyl, C3-6 cycloalkyl(C 1-4)alkyl, phenyl or benzyl, the phenyl and benzyl groups being optionally substituted with halogen, C1-4 alkyl or C1-4 alkoxy.

  通用公式（1）的杀真菌化合物：其中X、Y和Z独立地为H、卤素、Cl-4烷基、卤代（C1-4）烷基、C2-4烯基、卤代（C2-4）烯基、C24炔基、卤代（C2-4）炔基、C1-4烷氧基、卤代（C1-4）烷氧基、-S（O）n（C1-4）烷基，其中n为0、1或2，烷基基团可选择地用氟取代，-OSO2（C1-4）烷基，其中烷基基团可选择地用氟、氰基、硝基、C1-4烷氧羰基、-CONR'R'、-COR'、-NR'COR'或-NR'COOR''取代，其中R'和R'独立地为H或C1-4烷基，R''为Cl-4烷基，前提是X和Z中至少有一个不为H；R1为Cl-4烷基、C2-4烯基或C2-4炔基，其中烷基、烯基和炔基基团可选择地在其末端碳原子上用一个、两个或三个卤素原子、氰基、C1-4烷基羰基、C1-4烷氧羰基或羟基取代；R2为H、C1-4烷基、C1-4烷氧甲基或苄氧甲基，其中苄基部分的苯环可选择地用CI-4烷氧基取代；R3和R4独立地为H、C1-3烷基、C2-3烯基或C2-3炔基，前提是两者均不为H，且当两者均不为H时，它们的碳原子总数不超过4，或者R3和R4与它们所连接的碳原子结合形成一个含有一个氧、硫或氮原子的3或4元环状环，可选择地用卤素或C1-4烷基取代；R5为未取代的C3-4烷基、未取代的C3-6环烷基或Cl-4烷基或C3-6环烷基，其中烷基和环烷基基团可用卤素、羟基、C1-6烷氧基、氰基、C1-4烷基羰氧基、氨基羰氧基、单取代或双（C1-4）烷基氨基羰氧基、-S（O）'(C1-6)烷基（其中n为0、1或2）、三唑基、三（C1-4）烷基硅氧基、可选择取代的苯氧基、可选择取代的噻吩氧基、可选择取代的苄氧基或可选择取代的噻吩基甲氧基，其中可选择取代的苯环和噻吩环的苯氧基、噻吩氧基、苄氧基和噻吩基甲氧基可选择地用一个、两个或三个取代基选自卤素、羟基、巯基、C1-4烷基、C2-4烯基、C2-4炔基、C1-4烷氧基、C2-4烯氧基、C2-4炔氧基、卤代（C1-4）烷基、卤代（C1-4）烷氧基、C1-4烷硫基、卤代（C1-4）烷硫基、羟基（C1-4）烷基、C1-4烷氧基（C1-4）烷基、C3-6环烷基、C3-6环烷基（C1-4）烷基、苯氧基、苄氧基、苯甲酰氧基、氰基、异氰基、硫氰酸基、异硫氰酸基、硝基、-NR-R'、-NHCORm、-NHCONRmR'、-CONRmR'、-S02Rm、-OS02Rm、-CORM、-CR'=NR'或-N=CRmR'，其中R''和R'独立地为氢、CI-4烷基、卤代（C1-4）烷基、C1-4烷氧基、卤代（C1-4）烷氧基、C1-4烷硫基、C3-6环烷基、C3-6环烷基（C 1-4）烷基、苯基或苄基，苯基和苄基可选择地用卤素、C1-4烷基或C1-4烷氧基取代。