(S)-N-(2-{3-Bromo-4-[3-(4-chloro-phenyl)-prop-2-ynyloxy]-5-methoxy-phenyl}-ethyl)-2-ethanesulfonylamino-3-methyl-butyramide | 368445-49-2

• 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)-N-(2-{3-Bromo-4-[3-(4-chloro-phenyl)-prop-2-ynyloxy]-5-methoxy-phenyl}-ethyl)-2-ethanesulfonylamino-3-methyl-butyramide
• 英文别名: (2S)-N-[2-[3-bromo-4-[3-(4-chlorophenyl)prop-2-ynoxy]-5-methoxyphenyl]ethyl]-2-(ethylsulfonylamino)-3-methylbutanamide
• CAS: 368445-49-2
• 化学式: C₂₅H₃₀BrClN₂O₅S
• 分子量: 585.947
• InChiKey: WZSMISVPZCCPJV-QHCPKHFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  35
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  toluene-4-sulfonic acid [3-(4-chlorophenyl)-2-propyn-1-yl] ester 、 (S)-N-[2-(3-Bromo-4-hydroxy-5-methoxy-phenyl)-ethyl]-2-ethanesulfonylamino-3-methyl-butyramide 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 (S)-N-(2-{3-Bromo-4-[3-(4-chloro-phenyl)-prop-2-ynyloxy]-5-methoxy-phenyl}-ethyl)-2-ethanesulfonylamino-3-methyl-butyramide
  参考文献：
  名称：

  Novel alpha-sulfin-and alpha-sulfonamino acid amides

  摘要：

  本发明涉及一种新型杀虫活性的α-亚磺酰和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0或1；R1-R9具有规范中所给出的含义，R10为氢、(a)、(b)、(c)、(d)或(e)，其中R13、R14、R16、R17和R19各自独立地为氢或C1-C4烷基，R15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，R18为可选取代芳基或可选取代杂环芳基；Z为氧、硫—CR20R21—或—NR22—，其中R20、R21和R22各自独立地为氢或C1-C4烷基；但当R8为氢时，R9不为C1-C6-烷氧基、C3-C6烯氧基或C3-C6炔氧基，这些基团位于携带这些基团的苯环的3位。这些新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。

  公开号：

  US20030229228A1

文献信息

• NOVEL ALPHA-SULFIN- AND ALPHA-SULFONAMIDO ACID AMIDES
  申请人：Syngenta Participations AG

  公开号：EP1274678A1

  公开（公告）日：2003-01-15
• [EN] NOVEL alpha -SULFIN- AND alpha -SULFONAMINO ACID AMIDES<br/>[FR] NOUVEAUX AMIDES D'ACIDE DOLLAR G(A)-SULFINAMINE ET DOLLAR G(A)-SULFONAMINE
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2001079159A1

  公开（公告）日：2001-10-25

  The invention relates to novel pesticidally active α-sulfin- and α-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; R1 - R9 have the meanings given in the specification R10 is either hydrogen, (a), (b), (c), (d) or (e) wherein R13, R14, R16, R17 and R19 are each independently hydrogen or C1-C4 alkyl, R15 is C4-C12 alkyl; C1-C12 halogenalkyl; C3-C8 cycloalkyl; optionally substituted aryl or optionally substituted heteroaryl, R18 is optionally substituted aryl or optionally substituted heteroaryl; and Z is oxygen, sulfur -CR20R21- or -NR22-, wherein R20, R21 and R22 independently of each other are hydrogen of C1-C4 alkyl; provided that when R8 is hydrogen, R9 is not C1-C6-alkoxy, C3-C6 alkenyloxy or C3-C6-alkynyloxy in position 3 of the phenyl ring carrying these radicals. The novel compounds possess plant-protecting properties and are suitable for protecting plants against infestation by phytopathogenic microorganisms.
• Novel alpha-sulfin-and alpha-sulfonamino acid amides
  申请人：——

  公开号：US20030229228A1

  公开（公告）日：2003-12-11

  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 9 have the meanings given in the specification R 10 is either hydrogen, (a), (b), (c), (d) or (e) wherein R 13 , R 14 , R 16 , R 17 and R 19 are each independently hydrogen or C 1 -C 4 alkyl, R 15 is C 4 -C 12 alkyl; C 1 -C 12 halogenalkyl; C 3 -C 8 cycloalkyl; optionally substituted aryl or optionally substituted heteroaryl, R 18 is optionally substituted aryl or optionally substituted heteroaryl; and Z is oxygen, sulfur —CR 20 R 21 — or —NR 22 —, wherein R 20 , R 21 and R 22 independently of each other are hydrogen of C 1 -C 4 alkyl; provided that when R 8 is hydrogen, R 9 is not C 1 -C 6 -alkoxy, C 3 -C 6 alkenyloxy or C 3 -C 6 -alkynyloxy in position 3 of the phenyl ring carrying these radicals. 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杀虫活性的α-亚磺酰和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是0或1；R1-R9具有规范中给出的含义，R10是氢，(a)，(b)，(c)，(d)或(e)，其中R13、R14、R16、R17和R19各自独立地是氢或C1-C4烷基，R15是C4-C12烷基；C1-C12卤代烷基；C3-C8环烷基；可选地取代的芳基或可选地取代的杂环芳基，R18是可选地取代的芳基或可选地取代的杂环芳基；Z是氧、硫、-CR20R21-或-NR22-，其中R20、R21和R22相互独立地是氢或C1-C4烷基；但当R8是氢时，R9不是C1-C6-烷氧基，C3-C6烯氧基或C3-C6炔氧基，位于携带这些基团的苯环的位置3。这些新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。