(S)-2-(ethylsulfonylamino)-3-methyl-butyric acid | 174602-63-2

• 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
• 英文别名: (S)-2-ethanesulfonylamino-3-methyl-butyric acid；N-ethylsulfonyl-L-valine；(2S)-2-(ethylsulfonylamino)-3-methylbutanoic acid
• CAS: 174602-63-2
• 化学式: C₇H₁₅NO₄S
• 分子量: 209.266
• InChiKey: KFGUHWIFCVPAPL-LURJTMIESA-N

物化性质

• 沸点：
  353.9±44.0 °C(Predicted)
• 密度：
  1.235±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  91.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S)-2-(ethylsulfonylamino)-3-methyl-butyric acid 、 2-(4-苯氧基苯基)-乙胺 在 氯化亚砜 、 三乙胺 作用下， 以 1,4-二氧六环 、 水 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 (S)-N-[2-(4-Benzyloxy-phenyl)-ethyl]-2-ethanesulfonylamino-3-methyl-butyramide
  参考文献：
  名称：

  Novel alpha-sulfin and alpha-sulfonamino amide derivatives

  摘要：

  该发明涉及一般式（I）的新型具有杀虫活性的α-亚砜和α-磺酰氨基酸酰胺，包括其光学异构体和这些异构体的混合物，其中n是零或一，R1-R7具有规范中给定的含义。R8是氢，（a），（b），（c），（d）或（e），其中R11，R12，R14，R，15和R17分别独立地是氢或C1-C4烷基，R13是C4-C12烷基；C1-C12卤代烷基；C3-C8环烷基；可选择地取代的芳基或可选择地取代的杂环烷基，R16是可选择地取代的芳基或可选择地取代的杂环烷基；Z是氧，硫-—CR18R19—或-—NR20—，其中R18，R19，R20彼此独立地是氢或C1-C4烷基。这些新化合物具有植物保护性能，并适用于保护植物免受植物病原微生物的侵害。

  公开号：

  US20040092401A1

文献信息

• alpha-sulfin-and alpha-sulfonamino acid amides
  申请人：——

  公开号：US20020082452A1

  公开（公告）日：2002-06-27

  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 and R 10 are each independently hydrogen or C 1 -C 4 alkyl; and R 11 is either 2 R 14 , R 15 , R 16 and R 17 are each independently hydrogen or C 1 -C 4 alkyl, X is oxygen, sulfur or —NR 18 —, wherein R 18 is hydrogen or C 1 -C 4 alkyl, and A is optionally substituted mono- or polycylic aryl or heteroaryl, 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 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I的α-亚砜和α-磺酰氨基酸酰胺，包括其光学异构体和这些异构体的混合物，其中n是零或一的数字；R1是C1-C12烷基，C1-C12烷基取代C1-C4烷氧基，C1-C4烷基硫醚基，C1-C4烷基磺酰基，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；或一个NR12R13基团，其中R12和R13各自独立地是氢或C1-C6烷基，或者一起是四甲基或五甲基；R2和R3各自独立地是氢；C1-C8烷基；C1-C8烷基取代羟基，巯基，C1-C4烷氧基或C1-C4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；或两个基团R2和R3与它们结合的碳原子一起形成三至八元环烃环；R4、R5、R6和R7各自独立地是氢或C1-C4烷基；R8是C1-C6烷基，C3-C6烯基或C3-C6炔基；R9和R10各自独立地是氢或C1-C4烷基；R11是2R14，R15，R16和R17各自独立地是氢或C1-C4烷基，X是氧、硫或-NR18-，其中R18是氢或C1-C4烷基，A是可选取代的单环或多环芳基或杂环芳基，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，侵害方面的用途。
• 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。
• N-sulphonyl and N-sulphinyl amino acid derivatives as microbicides
  申请人：Novartis Crop Protection, Inc.

  公开号：US06194611B1

  公开（公告）日：2001-02-27

  &agr;-Amino acid amides of formula (I) wherein the substituents are defined as follows: n is the number zero or one; R1 to R7 are as herein defined; R8 is C1-C6alkyl, C3-C6alkenyl or C3-C6alkynyl; R9 is C3-C8cycloalkyl; a C1-C6alkyl, C3-C6alkenyl or C3-C6alkynyl group substituted by one or more halogen atoms; or a group (a) wherein p and q are identical or different and are each independently of the other the number zero or one; and R13, R14, R15 and R16 are identical or different and are each independently of the others hydrogen or C1-C4alkyl; and X is hydrogen, in which case p and q must have the value zero; phenyl unsubstituted or mono- or poly-substituted by halogen, nitro, cyano, carboxy, C2-C6alkenyl, C2-C6alkynyl, C1-C6haloalkyl, C3-C6alkenyloxy, C3-C6alkynyloxy, C3-C7cycloalkyl, C1-C6haloalcoxy, C1-C6alkylthio, C1-C6alcoxycarbonyl, C3-C6alkenyloxycarbonyl, C3-C6alkynyloxycarbonyl, C1-C6alkyl or by C1-C6alkoxy; cyano; —COOR17; —COR18 or a group (b) wherein R17 and R21 are each independently of the other hydrogen, C1-C6alkyl, C3-C6alkenyl or C3-C6alkynyl, and R18 is hydrogen; C1-C6alkyl, C2-C6alkenyl, C2-C6alkynyl or phenyl, unsubstituted or substituted by halogen, nitro, cyano, C1-C4alkyl or by C1-C4alkoxy, and R19 and R20 are identical or different and are each independently of the other hydrogen or C1-C4alkyl, are valuable microbicides. They can be used in plant protection in the form of suitable compositions, for example in the control of fungal diseases.

  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。
• 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 amide derivatives
  申请人：——

  公开号：US20030224940A1

  公开（公告）日：2003-12-04

  The invention relates to novel pesticidally active &agr;-sulfin and &agr;-sulfonamino acid amides of the general formula (I) including the optical isomers thereof and mixtures of such isomers, wherein n is a number zero or one; R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and R 7 have the meanings given in the specification, and R 8 is either hydrogen, (a), (b), (c), (d) or (e) wherein R 11 , R 12 , R 13 , R 15 and R 17 are each independently hydrogen or C 1 -C 4 alkyl, R 13 is C 4 -C 12 alkyl, C 1 -C 12 halogenalkyl; C 3 -C 8 cycloalkyl; optionally substituted aryl or optionally substituted heteroaryl, R 16 is optionally substituted aryl or optionally substituted heteroaryl; and Z is oxygen, sulfur —CR 18 R 19 — or —NR 2O —, wherein R 18 , R 19 and R 20 independently of each other are hydrogen or C 1 -C 4 alkyl. The novel compounds possess plant-protecting properties and are suitable for protecting plants against infestation by phytopathogenic microorganisms.

  本发明涉及一种新的具有杀虫活性的α-亚砜和α-磺酰氨基酸酰胺，其通式为(I)，包括其光学异构体和混合物，其中n为零或一；R1、R2、R3、R4、R5、R6和R7具有规范中给出的含义，R8为氢、(a)、(b)、(c)、(d)或(e)，其中R11、R12、R13、R15和R17各自独立地为氢或C1-C4烷基，R13为C4-C12烷基，C1-C12卤代烷基；C3-C8环烷基；可选取代芳基或可选取代杂环芳基，R16为可选取代芳基或可选取代杂环芳基；Z为氧、硫- CR18R19-或-NR2O-，其中R18、R19和R20各自独立地为氢或C1-C4烷基。这些新化合物具有保护植物的性质，适用于保护植物免受植物病原微生物的侵害。