(E)-methyl 2-([2-(2-furyl)ethyl]phenyl)-3-(methylthio)propenoate | 115215-48-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-methyl 2-([2-(2-furyl)ethyl]phenyl)-3-(methylthio)propenoate
• 英文别名: methyl (E)-2-[2-[2-(furan-2-yl)ethyl]phenyl]-3-methylsulfanylprop-2-enoate
• CAS: 115215-48-0
• 化学式: C₁₇H₁₈O₃S
• 分子量: 302.394
• InChiKey: IPCPCFFAOIVDBZ-FOWTUZBSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  64.7
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Sulphides derived from substituted phenyl-2-acrylic acid
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0244077A1

  公开（公告）日：1987-11-04

  Compounds of formula: and stereoisomers thereof, wherein R' and R2, which are the same or different, are optionally substituted alkyl; W, X, Y and Z, which are the same or different, are hydrogen, halogen, hydroxy, optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted cycloalkylalkyl, optionally substituted aralkyl, optionally substituted aryloxyalkyl, optionally substituted alkenyl, optionally substituted aryl, optionally substituted alkynyl, optionally substituted amino, optionally substituted arylazo, optionally substituted heteroarylalkyl, optionally substituted heteroaryloxyalkyl, optionally substituted acylamino, nitro, cyano, -OR3, -SR3, -CO2R4, -CONR5R6, -COR', -CRB=NR9, -N=CR10R11, -SOR12 or -SO2R13, or any two of W, X, Y, and Z, in adjacent positions on the phenyl ring, optionally join to form an optionally substituted fused ring, either aromatic or aliphatic, optionally containing one or more heteroatoms; R3 is optionally substituted alkyl, or cycloalkyl optionally containing a hetero atom in the cycloalkyl ring, optionally substituted alkenyl, optionally substituted aryl, optionally substituted aralkyl, optionally substituted acyl, or optionally substituted heteroaryl; R4, R5, R6, R7, Re, R'° and R", which are the same or different, are hydrogen or optionally substituted alkyl, optionally substituted cycloalkyl, cycloalkylalkyl, optionally substituted alkenyl, optionally substituted alkynyl, optionally substituted aryl, optionally substituted heteroaryl, or optionally substituted aralkyl; and R9, R12 and R13 are optionally substituted aryl or optionally substituted heteroaryl. The compounds are useful as fungicides and insecticides and for regulating plant growth.

  式化合物及其立体异构体 及其立体异构体，其中 R' 和 R2 相同或不同，均为任选取代的烷基；W、X、Y 和 Z（相同或不同）是氢、卤素、羟基、任选取代的烷基、任选取代的环烷基、任选取代的环烷基烷基、任选取代的芳烷基、任选取代的芳氧基烷基、任选取代的烯基、任选取代的芳基、任选取代的炔基、任选取代的氨基、任选取代的芳偶氮基、任选取代的杂芳基烷基、任选取代的杂芳基烷基、任选取代的杂芳基烷基、任选取代的杂芳基烷基、任选取代的杂芳基酰胺任选取代的杂芳基烷基、任选取代的杂芳氧基烷基、任选取代的酰氨基、硝基、氰基、-OR3、-SR3、-CO2R4、-CONR5R6、-CORR'、-CRB=NR9、-N=CR10R11、-SOR12 或-SO2R13，或 W、X、Y 和 Z 中的任意两个，在苯环上的相邻位置，任选连接形成任选取代的融合环，可以是芳香族或脂肪族，任选含有一个或多个杂原子；R3 是任选取代的烷基，或在环烷基环中任选含有一个杂原子的环烷基，任选取代的烯基，任选取代的芳基，任选取代的芳烷基，任选取代的酰基，或任选取代的杂芳基；相同或不同的 R4、R5、R6、R7、Re、R'° 和 R "是氢或任选取代的烷基、任选取代的环烷基、环烷基烷基、任选取代的烯基、任选取代的炔基、任选取代的芳基、任选取代的杂芳基或任选取代的芳烷基；以及 R9、R12 和 R13 是任选取代的芳基或任选取代的杂芳基。 这些化合物可用作杀真菌剂、杀虫剂和调节植物生长。
• US5145954A
  申请人：——

  公开号：US5145954A

  公开（公告）日：1992-09-08