1,4-dimethyl-5-nitro-1,4-dihydro-1,4-epoxynaphthalene | 287475-50-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,4-dimethyl-5-nitro-1,4-dihydro-1,4-epoxynaphthalene
• 英文别名: 1,8-Dimethyl-3-nitro-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
• CAS: 287475-50-7
• 化学式: C₁₂H₁₁NO₃
• 分子量: 217.224
• InChiKey: NXCDVQBGWICLJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,4-dimethyl-5-nitro-1,4-dihydro-1,4-epoxynaphthalene 在 RaNi 氢气 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以94%的产率得到1,8-dimethyl-11-oxa-tricyclo[6.2.1.0*2,7*]undeca-2,4,6-trien-3-ylamine
  参考文献：
  名称：

  [EN] HETEROCYCLOCARBOXAMIDE DERIVATIVES
  [FR] DERIVES D'HETEROCYCLOCARBOXAMIDE

  摘要：

  本发明涉及一种式(I)的真菌杀菌活性化合物：其中Het是一个含有1-3个杂原子的5-或6元杂环，每个杂原子独立地选自氧、氮和硫，前提是该环不是1,2,3-三唑环，该环被R8、R9和R10基取代；X是单键或双键；Y是O、S、N(R11)或(CR12R13)(CR14R15)m(CR16R17)n；m为0或1；n为0或1；R1至R17各自独立地具有一系列值；制备这些化合物，用于制备这些化合物的新中间体，农业化学组合物，其中至少包含一种新化合物作为活性成分，制备所述组合物和在农业或园艺中使用活性成分或组合物控制或预防植物被植物病原微生物，优选真菌的侵染。

  公开号：

  WO2004035589A1

文献信息

• Chemical compounds
  申请人：Ehrenfreund Josef

  公开号：US20060154967A1

  公开（公告）日：2006-07-13

  A compound of formula (I):, where A is an ortho-substituted ring selected from a number of specified rings; R 1 is halogen, cyano, nitro, C 1-4 alkyl, C 1-4 haloalkyl, C 1-4 alkoxy or C 1-4 haloalkoxy or optionally substituted C 2-4 alkenyl, optionally substituted C 2-4 alkynyl or optionally substituted SO2(C 1-4 alkyl) (where the optionally substituted moieties may each have up to 3 substituents, each independently selected from halogen and C 1-4 alkoxy); R 2 is C 1-4 alkyl, C 1-4 haloalkyl, C 1-4 alkoxy(C 1-4 )alkyl or C 1-4 alkylthio(C 1-4 )alkyl or [optionally substituted aryl](C 1-4 )alkyl- or [optionally substituted aryl]oxy(C 1-4 )alkyl (where the optionally substituted aryl moieties may each have up to 3 substituents, each independently selected from halogen and C 1-4 alkoxy); R 3 is hydrogen, CH 2 C≡CR 4 , CH 2 CR 4 ═C(H)R 4 , CH═C═CH 2 or COR 5 or optionally substituted C 1-4 alkyl, optionally substituted C 1-4 alkoxy or optionally substituted (C 1-4 )alkylC(═O)O (where the optionally substituted moieties may each have up to 3 substituents, each independently selected from halogen and C 1-4 alkoxy, C 1-4 alkyl, C 1-2 haloalkoxy, hydroxy, cyano, carboxyl, methoxycarbonyl, ethoxycarbonyl, methylsulfonyl and ethylsulfonyl); each R 4 is, independently, hydrogen, halogen, C 1-4 alkyl, C 1-4 haloalkyl, C 1-4 alkoxy or C 1-4 alkoxy(C 1-4 )alkyl; and R 5 is hydrogen or optionally substituted C 1-6 alkyl, optionally substituted C 1-4 alkoxy, optionally substituted C 1-4 alkoxy(C 1-4 )alkyl, optionally substituted C 1-4 alkylthio(C 1-4 )alkyl or optionally substituted aryl (where the optionally substituted moieties may each have up to 3 substituents, each independently selected from halogen, C 1-6 alkoxy, C 1-6 haloalkoxy, cyano, hydroxy, methoxycarbonyl and ethoxycarbonyl).

  化合物的化学式为（I）：其中A是从指定环中选择的邻位取代环；R1是卤素，氰基，硝基，C1-4烷基，C1-4卤代烷基，C1-4烷氧基或C1-4卤代烷氧基，或者是可选取代的C2-4烯基，可选取代的C2-4炔基或可选取代的SO2（C1-4烷基）（其中可选取代基团可以各自具有多达3个取代基，每个取代基独立选择自卤素和C1-4烷氧基）；R2是C1-4烷基，C1-4卤代烷基，C1-4烷氧基（C1-4）烷基或C1-4烷硫基（C1-4）烷基，或[可选取代芳基]（C1-4）烷基-或[可选取代芳基]氧基（C1-4）烷基（其中可选取代基团可以各自具有多达3个取代基，每个取代基独立选择自卤素和C1-4烷氧基）；R3是氢，CH2C≡CR4，CH2CR4═C（H）R4，CH═C═CH2或COR5，或者是可选取代的C1-4烷基，可选取代的C1-4烷氧基或可选取代的（C1-4）烷基C（═O）O（其中可选取代基团可以各自具有多达3个取代基，每个取代基独立选择自卤素和C1-4烷氧基，C1-4烷基，C1-2卤代烷氧基，羟基，氰基，羧基，甲氧羰基，乙氧羰基，甲基磺酰基和乙基磺酰基）；每个R4独立地是氢，卤素，C1-4烷基，C1-4卤代烷基，C1-4烷氧基或C1-4烷氧基（C1-4）烷基；R5是氢或可选取代的C1-6烷基，可选取代的C1-4烷氧基，可选取代的C1-4烷氧基（C1-4）烷基，可选取代的C1-4烷硫基（C1-4）烷基或可选取代的芳基（其中可选取代基团可以各自具有多达3个取代基，每个取代基独立选择自卤素，C1-6烷氧基，C1-6卤代烷氧基，氰基，羟基，甲氧羰基和乙氧羰基）。
• MICROBIOCIDAL (E.G. FUNGICIDAL) 1,2,3-TRIAZOLE DERIVATIVES
  申请人：Ehrenfreund Josef

  公开号：US20090216027A1

  公开（公告）日：2009-08-27

  A compound of formula (I): where A is an ortho-substituted ring selected from a number of specified rings; R 1 is halogen, cyano, nitro, C 1-4 alkyl, C 1-4 haloalkyl, C 1-4 alkoxy or C 1-4 haloalkoxy or optionally substituted C 2-4 alkenyl, optionally substituted C 2-4 alkynyl or optionally substituted SO 2 (C 1-4 )alkyl (where the optionally substituted moieties may each have up to 3 substituents, each independently selected from halogen and C 1-4 alkoxy); R 2 is C 1-4 alkyl, C 1-4 haloalkyl, C 1-4 alkoxy(C 1-4 )alkyl or C 1-4 alkylthio(C 1-4 )alkyl or [optionally substituted aryl](C 1-4 )alkyl- or [optionally substituted aryl]oxy(C 1-4 )alkyl-(where the optionally substituted aryl moieties may each have up to 3 substituents, each independently selected from halogen and C 1-4 alkoxy); R 3 is hydrogen, CH 2 C≡CR 4 , CH 2 CR 4 ═C(H)R 4 , CH═C═CH 2 or COR 5 or optionally substituted C 1-4 alkyl, optionally substituted C 1-4 alkoxy or optionally substituted (C 1-4 ) alkylC(═O)O (where the optionally substituted moieties may each have up to 3 substituents, each independently selected from halogen and C 1-4 alkoxy, C 1-4 alkyl, C 1-2 haloalkoxy, hydroxy, cyano, carboxyl, methoxycarbonyl, ethoxycarbonyl, methylsulfonyl and ethylsulfonyl); each R 4 is, independently, hydrogen, halogen, C 1-4 alkyl, C 1-4 haloalkyl, C 1-4 alkoxy or C 1-4 alkoxy(C 1-4 )alkyl; and R 5 is hydrogen or optionally substituted C 1-6 alkyl, optionally substituted C 1-4 alkoxy, optionally substituted C 1-4 alkoxy(C 1-4 )alkyl, optionally substituted C 1-4 alkylthio(C 1-4 )alkyl or optionally substituted aryl (where the optionally substituted moieties may each have up to 3 substituents, each independently selected from halogen, C 1-6 alkoxy, C 1-6 haloalkoxy, cyano, hydroxy, methoxycarbonyl and ethoxycarbonyl).

  化合物的化学式为(I):其中A是从指定环中选择的邻位取代环；R1是卤素、氰基、硝基、C1-4烷基、C1-4卤代烷基、C1-4烷氧基或C1-4卤代烷氧基，或选择性取代的C2-4烯基、选择性取代的C2-4炔基或选择性取代的SO2(C1-4)烷基（其中选择性取代基团可以各自具有最多3个取代基，每个取代基可以独立选择卤素和C1-4烷氧基）；R2是C1-4烷基、C1-4卤代烷基、C1-4烷氧基(C1-4)烷基或C1-4烷硫基(C1-4)烷基或[选择性取代的芳基](C1-4)烷基-或[选择性取代的芳基]氧基(C1-4)烷基-（其中选择性取代的芳基基团可以各自具有最多3个取代基，每个取代基可以独立选择卤素和C1-4烷氧基）；R3是氢、CH2C≡CR4、CH2CR4═C(H)R4、CH═C═CH2或COR5或选择性取代的C1-4烷基、选择性取代的C1-4烷氧基或选择性取代的(C1-4)烷基C(═O)O（其中选择性取代基团可以各自具有最多3个取代基，每个取代基可以独立选择卤素和C1-4烷氧基、C1-4烷基、C1-2卤代烷氧基、羟基、氰基、羧基、甲氧基羰基、乙氧基羰基、甲基磺酰基和乙基磺酰基）；每个R4独立地是氢、卤素、C1-4烷基、C1-4卤代烷基、C1-4烷氧基或C1-4烷氧基(C1-4)烷基；而R5是氢或选择性取代的C1-6烷基、选择性取代的C1-4烷氧基、选择性取代的C1-4烷氧基(C1-4)烷基、选择性取代的C1-4烷硫基(C1-4)烷基或选择性取代的芳基（其中选择性取代基团可以各自具有最多3个取代基，每个取代基可以独立选择卤素、C1-6烷氧基、C1-6卤代烷氧基、氰基、羟基、甲氧基羰基和乙氧基羰基）。
• Tricyclic amines as intermediates in the synthesis of fungicidal carboxamide derivatives
  申请人：Syngenta Participations AG

  公开号：EP2258690A1

  公开（公告）日：2010-12-08

  The present invention relates to compounds of formula (IIIa) wherein Q, X, R13, R14, R15, and R16 are as defined in the claims.

  本发明涉及式（IIIa）化合物 其中 Q、X、R13、R14、R15 和 R16 如权利要求中所定义。
• MICROBIOCIDAL (E.G FUNGICIDAL) 1,2,3-TRIAZOLE DERIVATIVES
  申请人：Syngenta Participations AG

  公开号：EP1539717A2

  公开（公告）日：2005-06-15
• EP1539717B1
  申请人：——

  公开号：EP1539717B1

  公开（公告）日：2011-07-13