(S)-2-(ethylsulfonylamino)-3-methyl-butyric acid N-[2-(4-hydroxy-3-methoxyphenyl)-ethyl]-amide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S)-2-(ethylsulfonylamino)-3-methyl-butyric acid N-[2-(4-hydroxy-3-methoxyphenyl)-ethyl]-amide
• 英文别名: 2-(ethylsulfonylamino)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-methylbutanamide
• 化学式: C₁₆H₂₆N₂O₅S
• 分子量: 358.459
• InChiKey: XIPXWHPFDGOHPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  113
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (S)-2-(ethylsulfonylamino)-3-methyl-butyric acid N-[2-(4-hydroxy-3-methoxyphenyl)-ethyl]-amide 、 4-溴巴豆酸 在 sodium methylate 、 sodium 作用下， 以 甲醇 、 水 为溶剂， 生成 (S)-2-(Ethylsulfonylamino)-3-methyl-butyric acid N-{2-[4-(3-methoxycarbonylprop-2-en-1-yl)-oxy-3-methoxyphenyl]-ethyl}-amide
  参考文献：
  名称：

  N-sulphonyl and N-sulphinyl amino acid derivatives as microbicides

  摘要：

  公式（I）中的&agr;-氨基酸酰胺，其中取代基定义如下：n是零或一；R1至R7如上所述；R8是C1-C6烷基，C3-C6烯基或C3-C6炔基；R9是C3-C8环烷基；一种被一个或多个卤素原子取代的C1-C6烷基，C3-C6烯基或C3-C6炔基基团；或一个组（a），其中p和q相同或不同且各自独立地为零或一；R13、R14、R15和R16相同或不同，各自独立地为氢或C1-C4烷基；X是氢，此时p和q必须为零；苯基未取代或经卤素、硝基、氰基、羧基、C2-C6烯基、C2-C6炔基、C1-C6卤代烷基、C3-C6烯氧基、C3-C6炔氧基、C3-C7环烷基、C1-C6卤代烷氧基、C1-C6硫代烷基、C1-C6烷氧羰基、C3-C6烯氧羰基、C3-C6炔氧羰基、C1-C6烷基或C1-C6烷氧基取代，氰基；—COOR17；—COR18或一个组（b），其中R17和R21各自独立地为氢、C1-C6烷基、C3-C6烯基或C3-C6炔基，R18为氢、C1-C6烷基、C2-C6烯基、C2-C6炔基或苯基，未取代或经卤素、硝基、氰基、C1-C4烷基或C1-C4烷氧基取代，R19和R20相同或不同，各自独立地为氢或C1-C4烷基，是有价值的微生物杀菌剂。它们可以以适当的组合形式用于植物保护，例如在控制真菌病方面。

  公开号：

  US06194611B1
• 作为产物：
  描述：

  (S)-2-(ethylsulfonylamino)-3-methyl-butyric acid N-[2-(4-benzyloxy-3-methoxy-phenyl)-ethyl]-amide 在 钯 作用下， 以 四氢呋喃 、 正己烷 、 乙酸乙酯 为溶剂， 生成 (S)-2-(ethylsulfonylamino)-3-methyl-butyric acid N-[2-(4-hydroxy-3-methoxyphenyl)-ethyl]-amide
  参考文献：
  名称：

  N-sulphonyl and N-sulphinyl amino acid derivatives as microbicides

  摘要：

  公式（I）中的&agr;-氨基酸酰胺，其中取代基定义如下：n是零或一；R1至R7如上所述；R8是C1-C6烷基，C3-C6烯基或C3-C6炔基；R9是C3-C8环烷基；一种被一个或多个卤素原子取代的C1-C6烷基，C3-C6烯基或C3-C6炔基基团；或一个组（a），其中p和q相同或不同且各自独立地为零或一；R13、R14、R15和R16相同或不同，各自独立地为氢或C1-C4烷基；X是氢，此时p和q必须为零；苯基未取代或经卤素、硝基、氰基、羧基、C2-C6烯基、C2-C6炔基、C1-C6卤代烷基、C3-C6烯氧基、C3-C6炔氧基、C3-C7环烷基、C1-C6卤代烷氧基、C1-C6硫代烷基、C1-C6烷氧羰基、C3-C6烯氧羰基、C3-C6炔氧羰基、C1-C6烷基或C1-C6烷氧基取代，氰基；—COOR17；—COR18或一个组（b），其中R17和R21各自独立地为氢、C1-C6烷基、C3-C6烯基或C3-C6炔基，R18为氢、C1-C6烷基、C2-C6烯基、C2-C6炔基或苯基，未取代或经卤素、硝基、氰基、C1-C4烷基或C1-C4烷氧基取代，R19和R20相同或不同，各自独立地为氢或C1-C4烷基，是有价值的微生物杀菌剂。它们可以以适当的组合形式用于植物保护，例如在控制真菌病方面。

  公开号：

  US06194611B1

文献信息

• N-sulphonyl and N-sulphinyl amino acid amides as microbiocides
  申请人：Syngenta Crop Protection, Inc.

  公开号：US06277849B1

  公开（公告）日：2001-08-21

  The invention relates to novel pesticidally active compounds of the general formula I as well as possible isomers and isomeric mixtures thereof, wherein n is a number zero or one; and R1 is C1-C12alkyl that is unsubstituted or may be substituted by C1-C4alkoxy, C1-C4alkylthio, C1-C4alkylsulfonyl, C3-C8acycloalkyl, cyano, C1-C6alkoxycarbonyl, C3-C8alkenyloxycarbonyl, C1-C5alkynyloxycarbonyl; C3-C8cycloalkyl; C2-C12alkenyl: C2-C12alknyl; C1-C12haloalkyl or a group NR11R12; wherein R11, and R12 are each independently of the other hydrogen, C1-C6alkyl or together are tetra- or penta-methylene; R2 and R3 are each independently of the other hydrogen; C1-C8alkyl; C1-C8alkyl substituted by hydroxy, C1-C4alkoxy, mercapto or by C1C4alkylthio; C3-C8alkenyl; C3-C8alkynyl; C3-C8cycloalkyl; C3-C8acycloalkyl-C1-C4alkyl or wherein the two groups R2 and R3 together with the carbon atom to which they are bonded form a three- to eight-membered ring; R4, R5, R6 and R7 are identical or different and are each independently of the others hydrogen or C1-C4alkyl; R8 is C1-C6alkyl, C3-C6alkenyl or C3-C6alkynyl; p is a number zero or one; R9 is C1-C6alkylene; and A is unsubstituted or mono- or poly-substituted heteroaryl; unsubstituted or mono or poly-substituted aryl containing more than 6 carbon atoms. The novel compounds have plant-protecting properties and are suitable for the protection of plants against infestation by phytopathogenic microorganisms.

  该发明涉及一般式I的新型具有杀虫活性的化合物，以及可能的异构体和其异构混合物，其中n是零或一；R1是未取代的或可由C1-C4烷氧基、C1-C4烷基硫醚、C1-C4烷基磺酰基、C3-C8环烷基、氰基、C1-C6烷氧羰基、C3-C8烯氧羰基、C1-C5炔氧羰基；C3-C8环烷基；C2-C12烯基；C2-C12炔基；C1-C12卤代烷基或基团NR11R12；其中R11和R12分别独立地为氢、C1-C6烷基或一起为四甲基或五甲基亚甲基；R2和R3分别独立地为氢、C1-C8烷基；C1-C8烷基取代羟基、C1-C4烷氧基、巯基或C1C4烷基硫基；C3-C8烯基；C3-C8炔基；C3-C8环烷基；C3-C8环烷基-C1-C4烷基或其中R2和R3两个基团与它们连接的碳原子一起形成三至八元环；R4、R5、R6和R7相同或不同，各自独立地为氢或C1-C4烷基；R8为C1-C6烷基、C3-C6烯基或C3-C6炔基；p是零或一；R9为C1-C6烷基；A是未取代或单取代或多取代的杂环芳基；未取代或单取代或多取代的含有超过6个碳原子的芳基。这些新型化合物具有植物保护性能，适用于保护植物免受植物病原微生物的侵害。
• Alpha-sulfin-and alpha-sulfonamino acid amides
  申请人：——

  公开号：US20020099241A1

  公开（公告）日：2002-07-25

  The invention relates to &agr;-sulfin- and &agr;-sulfonamino acid amides of the general formula I 1 including the optical isomers thereof and mixtures of such isomers, wherein n is a number zero or one; R 1 is C 1 -C 12 alkyl, C 1 -C 12 alkyl substituted with C 1 -C 4 alkoxy, C 1 -C 4 alkylthio, C 1 -C 4 alkylsulfonyl, C 3 -C 8 cycloalkyl, cyano, C 1 -C 6 alkoxycarbonyl, C 3 -C 6 alkenyloxycarbonyl or C 3 -C 6 alkynyloxycarbonyl; C 3 -C 8 cycloalkyl; C 2 -C 12 alkenyl; C 2 -C 12 alkynyl; C 1 -C 12 haloalkyl; or a group NR 12 R 13 wherein R 12 and R 13 are each independently of the other hydrogen or C 1 -C 6 -alkyl, or together are tetra- or penta-methylene; R 2 and R 3 are each independently hydrogen; C 1 -C 8 alkyl; C 1 -C 8 alkyl substituted with hydroxy, mercapto, C 1 -C 4 alkoxy or C 1 -C 4 alkylthio; C 3 -C 8 alkenyl; C 3 -C 8 alkynyl; C 3 -C 8 cycloalkyl; C 3 -C 8 cycloalkyl-C 1 -C 4 alkyl; or the two groups R 2 and R 3 together with the carbon atom to which they are bonded form a three- to eight-membered hydrocarbon ring; R 4 , R 5 , R 6 and R 7 are each independently hydrogen or C 1 -C 4 alkyl; R 8 is C 1 -C 6 alkyl, C 3 -C 6 alkenyl or C 3 -C 6 alkynyl; R 9 , R 10 , R 14 , R 15 , R 16 and R 17 are each independently hydrogen or C 1 -C 4 alkyl; A is optionally substituted phenyl, and to the preparation of those substances and to agrochemical compositions comprising at least one of those compounds as active ingredient. The invention relates also to 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.

  该发明涉及一般式I1的α-亚砜基和α-磺酰氨基酸酰胺，包括其光学异构体和混合物，其中n是零或一；R1是C1-C12烷基，C1-C12烷基取代C1-C4烷氧基，C1-C4烷硫基，C1-C4烷磺基，C3-C8环烷基，氰基，C1-C6烷氧羰基，C3-C6烯氧羰基或C3-C6炔氧羰基；C3-C8环烷基；C2-C12烯基；C2-C12炔基；C1-C12卤代烷基；或基团NR12R13，其中R12和R13各自独立地为氢或C1-C6-烷基，或者一起为四甲基或五亚甲基；R2和R3各自独立地为氢；C1-C8烷基；C1-C8烷基取代羟基，巯基，C1-C4烷氧基或C1-C4烷硫基；C3-C8烯基；C3-C8炔基；C3-C8环烷基；C3-C8环烷基-C1-C4烷基；或两个基团R2和R3与它们连接的碳原子一起形成三至八元环烃环；R4、R5、R6和R7各自独立地为氢或C1-C4烷基；R8是C1-C6烷基，C3-C6烯基或C3-C6炔基；R9、R10、R14、R15、R16和R17各自独立地为氢或C1-C4烷基；A是可选取代的苯基，以及制备这些物质和包含至少一种这些化合物作为活性成分的农药组合物。该发明还涉及所述组合物的制备以及化合物或组合物在控制或预防植物受植物病原微生物，特别是真菌侵害方面的应用。
• ALPHA-SULFIN- AND ALPHA-SULFONAMINO ACID AMIDES
  申请人：Syngenta Participations AG

  公开号：EP1135369A2

  公开（公告）日：2001-09-26
• US6538159B2
  申请人：——

  公开号：US6538159B2

  公开（公告）日：2003-03-25
• [EN] ALPHA-SULFIN- AND ALPHA-SULFONAMINO ACID AMIDES<br/>[FR] AMIDES D'ACIDE alpha -SULFINE ET alpha -SULFONAMINO
  申请人：NOVARTIS AG

  公开号：WO2000032569A2

  公开（公告）日：2000-06-08

  The invention relates to α-sulfin- and α-sulfonamimo acid amides of general formula(I) including the optical isomers thereof and mixtures of such isomers, wherein n is a number zero or one; R1 is C1-C12alkyl, C1-C12alkyl substituted with C1-C4alkoxy, C1-C4alkylthio, C1-C4alkylsulfonyl, C3-C8cycloalkyl, cyano, C1-C6alkoxycarbonyl, C3-C6alkenyloxycarbonyl or C3-C6alkynyloxycarbonyl; C3-C8cycloalkyl; C2-C12alkenyl; C2-C12alkynyl; C1-C12haloalkyl; or a group NR12R13 wherein R12 and R13 are each independently of the other hydrogen or C1-C6-alkyl, or together are tetra- or penta-methylene; R2 and R3 are each independently hydrogen; C1-C8alkyl; C1-C8alkyl substituted with hydroxy, mercapto, C1-C4alkoxy or C1-C4alkylthio; C3-C8alkenyl; C3-C8alkynyl; C3-C8cycloalkyl; C3-C8cycloalkyl-C1-C4alkyl; or the two groups R2 and R3 together with the carbon atom to which they are bonded form a three- to eight-membered hydrocarbon ring; R4, R5, R6 and R7 are each independently hydrogen or C1-C4alkyl; R8 is C1-C6alkyl, C3-C6alkenyl or C3-C6alkynyl; R9, R10, R14, R15, R16 and R17 are each independently hydrogen or C1-C4alkyl; A is optionally substituted phenyl, and to the preparation of those substances and to agrochemical compositions comprising at least one of those compounds as active ingredient. The invention relates also to 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.