2,2,2-trichloroethyl (6S,7R)-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: 2,2,2-trichloroethyl (6S,7R)-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• 化学式: C₁₈H₁₇Cl₃N₂O₄S
• 分子量: 463.8
• InChiKey: DYSKJEHQMVZZTP-CJNGLKHVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Substituted phenylnitramines, their preparation and their application as fungicidal agents
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0003881A1

  公开（公告）日：1979-09-05

  The invention relates to substituted phenylnitramines and derivatives with fungicidal properties, and to the use of these compounds for the control of fungi, for example for the protection of living plants from attack thereby. The fungicidal phenylnitramines of this invention are compounds selected from formulae (I) and (III): wherein the formula (I) R to R, each represent a hydrogen, halogen, C1-C4 alkyl, halo(C1-C4)alkyl, C1-C4 alkylthio, C1-C4 alkylsulfonyl, C1-C4 alkanoylamino, C1-C4 alkyl-O-C-NH-, cyano or nitrol; Y is hydrogen, C1-C8 alkyl, C3-C8 alkenyl, C3-C5 alkynyl, R6-O-R4 alkenyl or C2-C5 alkynyl; R, is C1-C4 alkylene; R, is C2-C4 alkylene; W and W' each are hydrogen or halogen; Z is hydroxy or halogen; with the provisos, that at least two of the R groups R1 to R, are other than hydrogen; and that not more than two of the R groups R, to R, are C1-C4 alkylthio, C1-C4 alkylsulfonyl or nitro; and wherein the formula (lll) cation X represents H3NR, H2NR'R", HNR'R"R"', or NR'R"R"'R"", wherein R'to R"" each represent C C1C18alkyl, aryl or benzyl, or R' and R" taken together with the nitrogen to which they are attached form the cyclic moiety:

  本发明涉及具有杀真菌特性的取代苯基硝胺及其衍生物，以及使用这些化合物来控制真菌，例如保护生物植物免受真菌的侵袭。本发明的杀真菌苯基硝胺是选自式 (I) 和 (III) 的化合物： 其中式(I)中的R至R，各自代表氢、卤素、C1-C4烷基、卤代(C1-C4)烷基、C1-C4烷硫基、C1-C4烷基磺酰基、C1-C4烷酰氨基、C1-C4烷基-O-C-NH-、氰基或硝基；Y是氢、C1-C8烷基、C3-C8烯基、C3-C5炔基、R6-O-R4 烯基或 C2-C5 烷炔基；R，是 C1-C4 亚烷基；R，是 C2-C4 亚烷基；W 和 W'各自是氢或卤素；Z 是羟基或卤素；但前提是，R 基团 R1 至 R 中至少有两个不是氢；R 基团 R 至 R 中不超过两个是 C1-C4 烷硫基、C1-C4 烷基磺酰基或硝基；式（lll）阳离子 X 代表 H3NR、H2NR'R"、HNR'R "R"'或 NR'R "R"'R""，其中 R'至 R""各自代表 C C1C18 烷基、芳基或苄基，或 R'和 R "与它们所连接的氮一起形成环状分子：
• US4113591A
  申请人：——

  公开号：US4113591A

  公开（公告）日：1978-09-12