2-(Hydroxyimino)-3-methoxy-3-methylbutanenitrile | 86452-24-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-(Hydroxyimino)-3-methoxy-3-methylbutanenitrile
• 英文别名: 2-hydroxyimino-3-methoxy-3-methylbutanenitrile
• CAS: 86452-24-6
• 化学式: C₆H₁₀N₂O₂
• 分子量: 142.16
• InChiKey: OUNQMEAWCHUFCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  65.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(Hydroxyimino)-3-methoxy-3-methylbutanenitrile 、 potassium carbonate 、 4-(氯甲基)-2-(4-氟苯基)-1,3-唑 、 N,N-dimethylformamide acetone 、 以 Cyclohexane methyl tert-butyl ether 为溶剂， 反应 13.0h， 以give 5.4 g (95% of theory) of the title compound as a crystalline solid的产率得到3-Methoxy-3-methyl-2-[[[2-(4-fluorophenyl)oxazol-4-yl]methoxy]imino]-butyronitrile
  参考文献：
  名称：

  Cyanooxime ethers, their preparation, agents containing them and their

  摘要：

  化学式为I R.sup.1 R.sup.2 CH--ON.dbd.C(CN)--R.sup.3 I的氰氧肟醚，其中R.sup.1为氢或C.sub.1-C.sub.4-烷基；R.sup.2为未取代或取代的单核至三核脂肪族或芳香族环系统，除了碳原子外，还可以含有1-4个氮原子或1-3个来自氧、硫和氮的杂原子；R.sup.3为未取代或取代的烷基或未取代或取代的脂肪环系统，除了碳原子外，还可以含有1-2个来自氧、硫和氮的杂原子。包括它们的制备方法、含有它们的试剂和它们的用途。

  公开号：

  US05489605A1
• 作为产物：
  描述：

  2-甲氧基-2-甲基-丙醛肟 、 氯 、 sodium cyanide 在 甲醇 、 甲基叔丁基醚 、 水 、 Sodium sulfate-III 、 dichloromethane hexane 作用下， 以 乙醚 、 水合甲醇 为溶剂， 反应 5.0h， 以give 41.1 g (63% of theory) of a white powder of melting point 102°-104° C.的产率得到2-(Hydroxyimino)-3-methoxy-3-methylbutanenitrile
  参考文献：
  名称：

  O-benzyloxime ethers and crop protection agents containing these compounds

  摘要：

  公式I中的O-Benzyloxime醚，其中X是取代或未取代的CH2，NOalkylY是O，S，NR5，R1，R2，R5是H，alkylZ1，Z2是H，卤素，甲基，甲氧基，氰基，并含有这些化合物的作物保护剂。

  公开号：

  US06326399B1

文献信息

• O-benzyloxime ethers and crop protection agents containing these
  申请人：BASF Aktiengesellschaft

  公开号：US05387607A1

  公开（公告）日：1995-02-07

  O-Benzyloxime ethers of the formula I ##STR1## where X is substituted or unsubstituted CH.sub.2, NOalkyl Y is O, S, NR.sup.5 R.sup.1, R.sup.2, R.sup.5 are H, alkyl Z.sup.1, Z.sup.2 are H, halogen, methyl, methoxy, cyano R.sup.3, R.sup.4 are hydrogen, cyano, substituted or unsubstituted alkyl, alkenyl, cycloalkyl, cycloalkenyl, alkynyl, alkoxy, haloalkoxy, alkylthio, benzylthio, alkylcarbonyl, substituted or unsubstituted phenylcarbonyl, substituted or unsubstituted benzylcarbonyl, alkoxycarbonyl, substituted or unsubstituted phenoxycarbonyl, substituted or unsubstituted benzyloxycarbonyl, N(R.sup.6).sub.2, where R.sup.6 is H, alkyl, substituted or unsubstituted phenyl, --CO--N(R.sup.7).sub.2, where R.sup.7 is H, substituted or unsubstituted alkyl, substituted or unsubstituted aryl, substituted or unsubstituted aryloxy, substituted or unsubstituted arylthio, substituted or unsubstituted hetaryl, substituted or unsubstituted hetaryloxy, substituted or unsubstituted hetarylthio, substituted or unsubstituted heterocyclyl, substituted or unsubstituted heterocyclyloxy, R.sup.3 and R.sup.4 together may form a carbocyclic or heterocyclic ring which is substituted or unsubstituted, and R.sup.3 or R.sup.4 may be halogen, or ##STR2## may be ##STR3## where n is an integer from 1 to 4, and R.sup.8 is, or, when n>1, the RB's are identical or different and are each, H, halogen, cyano, nitro or substituted or unsubstituted C.sub.1 -C.sub.4 -alkyl, C.sub.1 -C.sub.4 -alkoxy, C.sub.1 -C.sub.4 -haloalkyl, C.sub.1 -C.sub.4 -haloalkoxy, aryl, aryloxy, benzyloxy, hetaryl or hetaryloxy, and crop protection agents containing these compounds.

  公式I中的O-苄氧肟醚 ##STR1## 其中X是取代或未取代的CH.sub.2，NO烷基，Y是O，S，NR.sup.5 R.sup.1，R.sup.2，R.sup.5是H，烷基，Z.sup.1，Z.sup.2是H，卤素，甲基，甲氧基，氰基，R.sup.3，R.sup.4是氢，氰基，取代或未取代的烷基，烯基，环烷基，环烯基，炔基，烷氧基，卤代烷氧基，烷基硫醚，苄基硫醚，烷基羰基，取代或未取代的苯基羰基，取代或未取代的苄基羰基，烷氧羰基，取代或未取代的苯氧羰基，取代或未取代的苄氧羰基，N(R.sup.6).sub.2，其中R.sup.6是H，烷基，取代或未取代的苯基，--CO--N(R.sup.7).sub.2，其中R.sup.7是H，取代或未取代的烷基，取代或未取代的芳基，取代或未取代的芳基氧基，取代或未取代的芳基硫醚，取代或未取代的杂芳基，取代或未取代的杂芳基氧基，取代或未取代的杂芳基硫醚，取代或未取代的杂环烷基，取代或未取代的杂环烷氧基，取代或未取代的杂环烷硫基，取代或未取代的杂环烷基，R.sup.3和R.sup.4可以共同形成取代或未取代的碳环或杂环，R.sup.3或R.sup.4可以是卤素，或者##STR2##可以是##STR3##其中n是1到4的整数，R.sup.8是，或者当n>1时，RB相同或不同，分别为H，卤素，氰基，硝基或取代或未取代的C.sub.1-C.sub.4烷基，C.sub.1-C.sub.4烷氧基，C.sub.1-C.sub.4卤代烷基，C.sub.1-C.sub.4卤代烷氧基，芳基，芳氧基，苄氧基，杂芳基或杂芳氧基，并且包含这些化合物的农药保护剂。
• O-Benzyloxime ethers and crop protection agents containing these
  申请人：BASF Aktiengesellschaft

  公开号：US05563168A1

  公开（公告）日：1996-10-08

  O-Benzyloxime ethers of the formula I ##STR1## where 5 X is substituted or unsubstituted CH.sub.2, NOalkyl Y is O, S, NR.sup.5 R.sup.1, R.sup.2, R.sup.5 are H, alkyl Z.sup.1, Z.sup.2 are H, halogen, methyl, methoxy, cyano R.sup.3, R.sup.4 are hydrogen, cyano, substituted or unsubstituted alkyl, alkenyl, cycloalkyl, cycloalkenyl, alkynyl, alkoxy, haloalkoxy, alkylthio, benzylthio, alkylcarbonyl, substituted or unsubstituted phenylcarbonyl, substituted or unsubstituted benzylcarbonyl, alkoxycarbonyl, substituted or unsubstituted phenoxycarbonyl, substituted or unsubstituted benzyloxycarbonyl, N(R.sup.6).sub.2, where R.sup.6 is H, alkyl, substituted or unsubstituted phenyl, --CO--N(R.sup.7).sub.2, where R.sup.7 is H, substituted or unsubstituted alkyl, substituted or unsubstituted aryl, substituted or unsubstituted aryloxy, substituted or unsubstituted arylthio, substituted or unsubstituted hetaryl, substituted or unsubstituted hetaryloxy, substituted or unsubstituted hetarylthio, substituted or unsubstituted heterocyclyl, substituted or unsubstituted heterocyclyloxy, R.sup.3 and R.sup.4 together may form a carbocyclic or heterocyclic ring which is substituted or unsubstituted, and R.sup.3 or R.sup.4 may be halogen, or ##STR2## may be ##STR3## where n is an integer from 1 to 4, and R.sup.8 is, or, when n>1, the R.sup.8' s are identical or different and are each, H, halogen, cyano, nitro or substituted or unsubstituted C.sub.1 -C.sub.4 -alkyl, C.sub.1 -C.sub.4 -alkoxy, C.sub.1 -C.sub.4 -haloalkyl, C.sub.1 -C.sub.4 -haloalkoxy, aryl, aryloxy, benzyloxy, hetaryl or hetaryloxy. and crop protection agents containing these compounds.

  I-式的O-苄氧肟醚化合物，其中5 X是取代或未取代的CH.sub.2，NO烷基，Y是O，S，NR.sup.5 R.sup.1，R.sup.2，R.sup.5是H，烷基，Z.sup.1，Z.sup.2是H，卤素，甲基，甲氧基，氰基，R.sup.3，R.sup.4是氢，氰基，取代或未取代的烷基，烯基，环烷基，环烯基，炔基，烷氧基，卤代烷氧基，烷基硫基，苄基硫基，烷基羰基，取代或未取代的苯基羰基，取代或未取代的苄基羰基，烷氧羰基，取代或未取代的苯氧羰基，取代或未取代的苄氧羰基，N（R.sup.6）.sub.2，其中R.sup.6是H，烷基，取代或未取代的苯基，--CO--N（R.sup.7）.sub.2，其中R.sup.7是H，取代或未取代的烷基，取代或未取代的芳基，取代或未取代的芳氧基，取代或未取代的芳硫基，取代或未取代的杂芳基，取代或未取代的杂芳氧基，取代或未取代的杂芳硫基，取代或未取代的杂环烷基，取代或未取代的杂环烷氧基，R.sup.3和R.sup.4可共同形成取代或未取代的碳环或杂环，R.sup.3或R.sup.4可为卤素，或##STR2##可为##STR3##其中n为1至4的整数，R.sup.8是H，或当n>1时，R.sup.8'相同或不同，分别为H，卤素，氰基，硝基或取代或未取代的C.sub.1-C.sub.4烷基，C.sub.1-C.sub.4烷氧基，C.sub.1-C.sub.4卤代烷基，C.sub.1-C.sub.4卤代烷氧基，芳基，芳氧基，苄氧基，杂芳基或杂芳氧基。含有这些化合物的作物保护剂。
• O-benzyloxime ethers and crop protection agents containing these compounds
  申请人：——

  公开号：US06316459B1

  公开（公告）日：2001-11-13

  O-Benzyloxime ethers of the formula I where X is substituted or unsubstituted CH2, NOalkyl Y is O, S, NR5 R1, R2, R5 are H, alkyl Z1, Z2 are H, halogen, methyl, methoxy, cyano R3, R4 are hydrogen, cyano, substituted or unsubstituted alkyl, alkenyl, cycloalkyl, cycloalkenyl, alkynyl, alkoxy, haloalkoxy, alkylthio, benzylthio, alkylcarbonyl, substituted or unsubstituted phenylcarbonyl, substituted or unsubstituted benzylcarbonyl, alkoxycarbonyl, substituted or unsubstituted phenoxycarbonyl, substituted or unsubstituted benzyloxycarbonyl, N(R6)2, where R6 is H, alkyl, substituted or unsubstituted phenyl, —CO—N(R7)2, where R7 is H, substituted or unsubstituted alkyl, substituted or unsubstituted aryl, substituted or unsubstituted aryloxy, substituted or unsubstituted arylthio, substituted or unsubstituted hetaryl, substituted or unsubstituted hetaryloxy, substituted or unsubstituted hetarylthio, substituted or unsubstituted heterocyclyl, substituted or unsubstituted heterocyclyloxy, R3 and R4 together may form a carbocyclic or heterocyclic ring which is substituted or unsubstituted, and R3 or R4 may be halogen, or  may be  where n is an integer from 1 to 4, and R8 is, or, when n>1, the R8's are identical or different and are each, H, halogen, cyano, nitro or substituted or unsubstituted C1-C4-alkyl, C1-C4-alkoxy, C1-C4-haloalkyl, C1-C4-haloalkoxy, aryl, aryloxy, benzyloxy, hetaryl or hetaryloxy. and crop protection agents containing these compounds.

  化合物I的O-苄氧基甲醚，其中X是取代或未取代的CH2，NO烷基，Y是O，S，NR5，R1，R2，R5是H，烷基，Z1，Z2是H，卤素，甲基，甲氧基，氰基，R3，R4是氢，氰基，取代或未取代的烷基，烯基，环烷基，环烯基，炔基，烷氧基，卤代烷氧基，烷硫基，苄基硫基，烷基羰基，取代或未取代的苯基羰基，取代或未取代的苄基羰基，烷氧羰基，取代或未取代的苯氧羰基，取代或未取代的苄氧羰基，N（R6）2，其中R6是H，烷基，取代或未取代的苯基，-CO-N（R7）2，其中R7是H，取代或未取代的烷基，取代或未取代的芳基，取代或未取代的芳氧基，取代或未取代的芳硫基，取代或未取代的杂芳基，取代或未取代的杂芳氧基，取代或未取代的杂芳硫基，取代或未取代的杂环烷基，取代或未取代的杂环氧基，R3和R4可以形成取代或未取代的碳环或杂环，R3或R4可以是卤素，或n是1到4的整数，R8是H，卤素，氰基，硝基或取代或未取代的C1-C4烷基，C1-C4烷氧基，C1-C4卤代烷基，C1-C4卤代烷氧基，芳基，芳氧基，苄氧基，杂芳基或杂芳氧基，以及含有这些化合物的作物保护剂。
• Cyanooxime ethers, their preparation, agents containing them and their
  申请人：BASF Aktiengesellschaft

  公开号：US05489605A1

  公开（公告）日：1996-02-06

  Cyanooxime ethers of the formula I R.sup.1 R.sup.2 CH--ON.dbd.C(CN)--R.sup.3 I where R.sup.1 is hydrogen or C.sub.1 -C.sub.4 -alkyl; R.sup.2 is an unsubstituted or substituted mononuclear to trinuclear aliphatic or aromatic ring system which, in addition to carbon atoms, may contain from one to four nitrogen atoms or from one to three hetero atoms selected from the group consisting of oxygen, sulfur and nitrogen and R.sup.3 is unsubstituted or substituted alkyl or an unsubstituted or substituted aliphatic ring system which, in addition to carbon atoms, may contain one or two hetero atoms selected from the group consisting of oxygen, sulfur and nitrogen, processes for their preparation, agents containing them and their use.

  化学式为I R.sup.1 R.sup.2 CH--ON.dbd.C(CN)--R.sup.3 I的氰氧肟醚，其中R.sup.1为氢或C.sub.1-C.sub.4-烷基；R.sup.2为未取代或取代的单核至三核脂肪族或芳香族环系统，除了碳原子外，还可以含有1-4个氮原子或1-3个来自氧、硫和氮的杂原子；R.sup.3为未取代或取代的烷基或未取代或取代的脂肪环系统，除了碳原子外，还可以含有1-2个来自氧、硫和氮的杂原子。包括它们的制备方法、含有它们的试剂和它们的用途。
• USRE037839E1
  申请人：——

  公开号：——

  公开（公告）日：——