(E)-2-(2-(3-hydroxyprop-1-enyl)phenyl)acetonitrile | 642066-72-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂醇
• 英文名称: (E)-2-(2-(3-hydroxyprop-1-enyl)phenyl)acetonitrile
• 英文别名: 2-[(1E)-3-Hydroxy-1-propen-1-yl]benzeneacetonitrile；2-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]acetonitrile
• CAS: 642066-72-6
• 化学式: C₁₁H₁₁NO
• 分子量: 173.214
• InChiKey: JTZHBPMDCUOUMZ-ZZXKWVIFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.76
• 重原子数：
  13.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  44.02
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (E)-2-(2-(3-hydroxyprop-1-enyl)phenyl)acetonitrile 在 咪唑 、 4-二甲氨基吡啶 、 potassium fluoride 、 cyclopentadienylruthenium(II) trisacetonitrile hexafluorophosphate 、 (3aR,11aR,14aS,16bS)-2,2,13,13-tetra-isopropyl-3a,11a,14a,16b-tetrahydro-bis(1,3-dioxolano[4',5':3,4]pyrrolo)[1,2-a:1',2'-a]naphtho[1,2-d:8,7-d']diimidazole 、 水 、 对甲苯磺酸 、 氟化氢吡啶 、 N,N'-二环己基碳二亚胺 、 potassium hydroxide 作用下， 以 正己烷 、 二氯甲烷 、 丙酮 为溶剂， 反应 64.0h， 生成 (-)-2,2-dimethyl-1'-vinyl-3',4'-dihydro-1'H-spiro[[1,3]dioxane-5,2'-naphthalene]-4,6-dione
  参考文献：
  名称：

  A Chiral Bidentate sp2-N Ligand, Naph-diPIM: Application to CpRu-Catalyzed Asymmetric Dehydrative C-, N-, and O-Allylation

  摘要：

  DOI：

  10.1002/anie.201100772
• 作为产物：
  描述：

  methyl (E)-3-(2’-(bromomethyl)phenyl)acrylate 在 二异丁基氢化铝 作用下， 以 乙醚 、 乙醇 、 正己烷 为溶剂， 反应 7.0h， 生成 (E)-2-(2-(3-hydroxyprop-1-enyl)phenyl)acetonitrile
  参考文献：
  名称：

  A Chiral Bidentate sp2-N Ligand, Naph-diPIM: Application to CpRu-Catalyzed Asymmetric Dehydrative C-, N-, and O-Allylation

  摘要：

  DOI：

  10.1002/anie.201100772

文献信息

• [EN] PHENOXYPROPENYLPHENYL DERIVATIVES AND THEIR USE AS HERBICIDES<br/>[FR] DERIVES DE PHENOXYPROPENYLPHENYL ET LEUR UTILISATION EN TANT QU'HERBICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2004002947A1

  公开（公告）日：2004-01-08

  Compounds of formula (I), wherein R01 is hydrogen, C1-C8alkyl, C3-C8alkenyl or C3-C8alkynyl; or R01 is phenyl or phenyl-C1-C6alkyl, it being possible for the phenyl rings in turn to be mono- to penta-substituted by halogen and/or mono-, di- or tri-substituted by C1-C4alkyl, C1-C4haloalkyl, C1-C4alkoxy, -CN, -NO2, C1-C8alkylthio, C1-C8alkylsulfinyl or C1-C8alkylsulfonyl; or R01 is C1-C8alkyl mono- to penta-substituted by halogen or mono-, di- or tri-substituted by -CN, C1-C6alkylamino, di(C1-C6alkyl)amino or C1-C4alkoxy; n is 0, 1, 2, 3 or 4; each R1 independently is halogen, -CN, -SCN, -SF5, -NO2, -NH2, -C02R7, -CONR8R9, -C(S)NH2, -C(R10)=NOR11, -COR12, -OR13, -SR14, -SOR15, -SO2R16, -OSO2R17, C1-C8alkyl, C2-C8alkenyl, C2-C8alkynyl or C3-C6cycloalkyl; or C1-C8alkyl, C2-C8alkenyl or C2-C8alkynyl mono- to penta-substituted by halogen and/or mono-, di- or tri-substituted by -CN, -NO2, -NR18R19, -CO2R20, -CONR21R22, -COR23, -C(R24)=NOR25, -C(S)NR26R27, -C(C1-C4alkylthio)=NR28, -OR29, -SR30, -SOR31, -SO2R32 or C3-C6cycloalkyl; and/or each R1 independently is C3-C6cycloalkyl mono- to penta-substituted by halogen and/or mono-, di- or tri-substituted by -CN, -NO2, -NR18R19, -CO2R20, -CONR21R22, -COR23, -C(R24)=NOR25, -C(S)NR26R27, -C(C1-C4alkylthio)=NR28, -SR30, -SOR31, -SO2R32 or C3C6cycloalkyl; and/or each R1 independently is phenyl, which in turn can be mono- to penta-substituted by halogen and/or mono-, di- or tri-substituted by C1-C4alkyl, C1-C4haloalkyl, C1-C4alkoxy, -CN, -NO2, C1-C4alkylthio, C1-C4alkylsulfinyl or C1-C4alkylsulfonyl; and/or two adjacent R1 together form a C1-C7alkylene bridge, which can be interrupted by from 1 to 3 hetero atoms selected from oxygen, nitrogen and sulfur and which can be mono- to penta-substituted by halogen and/or mono-, di- or tri-substituted by C1-C6alkyl or C1-C6alkoxy, the total number of ring atoms being at least 5 and at most 9; and/or two adjacent R1 together form a C2-C7alkenylene bridge, which can be interrupted by from 1 to 3 hetero atoms selected from oxygen, nitrogen and sulfur and which can be mono- to penta-substituted by halogen and/or mono-, di- or tri-substituted by C1-C6alkyl or C1-C6alkoxy, the total number of ring atoms being at least 5 and at most 9; R3 and R4 are each independently of the other hydrogen, halogen, -CN, C1-C4alkyl or C1-C4alkoxy; or R3 and R4 together are C2-C5alkylene; m is 1, 2, 3, 4 or 5; and R2, R7 to R32, X1 and X2 are as defined in claim 1, and the agrochemically acceptable salts, N-oxides and all stereoisomers and tautomers of the compounds of formula (I) are suitable for use as herbicides.

  式(I)的化合物，其中R01是氢，C1-C8烷基，C3-C8烯基或C3-C8炔基；或者R01是苯基或苯基-C1-C6烷基，苯环可能被卤素单取代至五取代，或者单、二或三取代为C1-C4烷基，C1-C4卤代烷基，C1-C4烷氧基，-CN，-NO2，C1-C8烷基硫醚，C1-C8烷基磺醇或C1-C8烷基磺酰基；或者R01是被卤素单取代至五取代或单、二或三取代为-CN，C1-C6烷基胺基，二(C1-C6烷基)胺基或C1-C4烷氧基的C1-C8烷基；n为0、1、2、3或4；每个R1独立地是卤素，-CN，-SCN，-SF5，- ，-NH2，-C02R7，-CONR8R9，-C(S)NH2，-C(R10)=NOR11，-COR12，-OR13，-SR14，-SOR15，-SO2R16，-OSO2R17，C1-C8烷基，C2-C8烯基，C2-C8炔基或C3-C6环烷基；或者C1-C8烷基，C2-C8烯基或C2-C8炔基被卤素单取代至五取代，或者单、二或三取代为-CN，- ，-NR18R19，-CO2R20，-CONR21R22，-COR23，-C(R24)=NOR25，-C(S)NR26R27，-C(C1-C4烷基硫)=NR28，-OR29，-SR30，-SOR31，-SO2R32或C3-C6环烷基；和/或每个R1独立地被卤素单取代至五取代，或者单、二或三取代为-CN，- ，-NR18R19，-CO2R20，-CONR21R22，-COR23，-C(R24)=NOR25，-C(S)NR26R27，-C(C1-C4烷基硫)=NR28，-SR30，-SOR31，-SO2R32或C3C6环烷基；和/或每个R1独立地是苯基，苯基可以被卤素单取代至五取代，或者单、二或三取代为C1-C4烷基，C1-C4卤代烷基，C1-C4烷氧基，-CN，- ，C1-C4烷基硫醚，C1-C4烷基磺醇或C1-C4烷基磺酰基；和/或两个相邻的R1一起形成C1-C7烷基桥，可以被由氧、氮和硫选择的1至3个杂原子中断，并且可以被卤素单取代至五取代，或者单、二或三取代为C1-C6烷基或C1-C6烷氧基，环原子总数至少为5且至多为9；和/或两个相邻的R1一起形成C2-C7烯基桥，可以被由氧、氮和硫选择的1至3个杂原子中断，并且可以被卤素单取代至五取代，或者单、二或三取代为C1-C6烷基或C1-C6烷氧基，环原子总数至少为5且至多为9；R3和R4分别独立地为氢，卤素，-CN，C1-C4烷基或C1-C4烷氧基；或者R3和R4一起为C2-C5烷基；m为1、2、3、4或5；R2、R7到R32、X1和X2如权利要求1中定义，化合物的所有立体异构体和互变异构体以及式(I)的农药可接受盐和N-氧化物适用于作为除草剂。