2-(2-甲氧基苯基)-2-甲基丙腈 | 13524-75-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(2-甲氧基苯基)-2-甲基丙腈
• 英文名称: 2-(2-methoxyphenyl)-2-methylpropanenitrile
• 英文别名: 2-(2-methoxyphenyl)-2-methylpropionitrile；2-methoxy-α,α-dimethylbenzylcyanide；2-(2-Methoxy-phenyl)-2-methyl-propionitrile；2-Methyl-2--propionitril；2-Methyl-2-(o-methoxy-phenyl)-propionitril
• CAS: 13524-75-9
• 化学式: C₁₁H₁₃NO
• mdl: MFCD11036587
• 分子量: 175.23
• InChiKey: IKGVYAGZJIQWFU-UHFFFAOYSA-N

物化性质

• 沸点：
  121-122 °C(Press: 0.3 Torr)
• 密度：
  1.009±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(2-甲氧基苯基)-2-甲基丙腈 在 二异丁基氢化铝 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 2.0h， 以95%的产率得到2-(2-methoxyphenyl)-2-methylpropanal
  参考文献：
  名称：

  Heck-type 5-endo-trig cyclizations promoted by vinylic fluorines: Ring-fluorinated indene and 3H-pyrrole syntheses from 1,1-difluoro-1-alkenes

  摘要：

  Arylpalladium or aminopalladium species bearing a 2,2-difluorovinyl group undergo an unusual 5-endo alkene insertion followed by beta-fluorine elimination. These processes provide a facile access to ring-fluorinated five-membered carbocyclic and heterocyclic compounds starting from an o-(3,3-difluoroallyl)phenyl trifluoromethanesulfonate and 3,3-difluoroallyl ketone O-pentafluorobenzoyloximes. In both systems, the two vinylic fluorine atoms are essential for Heck-type 5-endo-trig cyclizations. (C) 2006 Elsevier B.V All rights reserved.

  DOI：

  10.1016/j.jfluchem.2005.12.023
• 作为产物：
  描述：

  异丁腈 、 2-氟苯甲醚 在 双(三甲基硅烷基)氨基钾 作用下， 以 甲苯 为溶剂， 反应 16.0h， 以97%的产率得到2-(2-甲氧基苯基)-2-甲基丙腈
  参考文献：
  名称：

  通过亲核芳香取代制备吲哚啉

  摘要：

  描述了一种不寻常的芳族取代基来取代吲哚。使2-（2-甲氧基苯基）乙腈衍生物与各种烷基和芳基Li试剂反应以提供相应的吲哚烯产物，天然产物的成分和花青染料，例如吲哚花青绿。该新方法用于合成具有较大官能团耐受性的41种吲哚胺，并将选定的实例进一步转化为相应的吲哚啉染料。关键实验提供了这种亲核芳族取代机理的见解。

  DOI：

  10.1021/acs.orglett.9b00489

文献信息

• 5-Cyano-2,3-dihydrobenzofurans useful as herbicides
  申请人：Fisons Limited

  公开号：US04263037A1

  公开（公告）日：1981-04-21

  The invention provides herbicidally-active 2,3-dihydro-5-cyanobenzofurans of the formula: ##STR1## (wherein: R.sup.1 and R.sup.2 together represent .dbd.O or R.sup.1 represents hydrogen and R.sup.2 represents hydrogen, hydroxy, alkoxy, acyloxy, alkoxycarbonyloxy, alkylthiocarbonyloxy, halogen, isothiocyanato, amino, alkylamino, dialkylamino, arylamino, acylamino, alkoxycarbonylamino, alkylthiocarbonylamino, N-bonded heterocyclyl, cyano or alkylthio; R.sup.3 and R.sup.4 together represent alkylene or each represent hydrogen or alkyl; and R.sup.5, R.sup.6 and R.sup.7, which may be the same or different, each represent hydrogen, halogen, alkyl, alkoxy, acyl or cyano), processes for their preparation and herbicidal compositions containing them.

  本发明提供了具有除草活性的2,3-二氢-5-氰基苯并呋喃式化合物，其化学式为：##STR1##（其中：R1和R2在一起表示.dbd.O，或R1表示氢，而R2表示氢、羟基、烷氧基、酰氧基、烷氧羰基氧基、烷基硫酰羟基氧基、卤素、异硫氰酸基、氨基、烷基氨基、二烷基氨基、芳基氨基、酰基氨基、烷氧羰基氨基、烷基硫酰羰基氨基、N-键合杂环基、氰基或烷硫基；R3和R4在一起表示烷基，或各自表示氢或烷基；而R5、R6和R7，可以相同也可以不同，分别表示氢、卤素、烷基、烷氧基、酰基或氰基），本发明还提供了制备这些化合物的方法和含有它们的除草剂组合物。
• Herbicidal 5-cyano-2,3-dihydro-benzofuran-2-ones
  申请人：Fisons Limited

  公开号：US04333759A1

  公开（公告）日：1982-06-08

  The invention provides herbicidally-active 2,3-dihydro-5-cyanobenzofurans of the formula: ##STR1## (wherein: R.sup.1 and R.sup.2 together represent .dbd.O or R.sup.1 represents hydrogen and R.sup.2 represents hydrogen, hydroxy, alkoxy, acyloxy, alkoxycarbonyloxy, alkylthiocarbonyloxy, halogen, isothiocyanato, amino, alkylamino, dialkylamino, arylamino, acylamino, alkoxycarbonylamino, alkylthiocarbonylamino, N-bonded heterocyclyl, cyano or alkylthio; R.sup.3 and R.sup.4 together represent alkylene or each represent hydrogen or alkyl; and R.sup.5, R.sup.6 and R.sup.7, which may be the same or different, each represent hydrogen, halogen, alkyl, alkoxy, acyl or cyano), processes for their preparation and herbicidal compositions containing them. ,

  本发明提供了具有除草活性的2,3-二氢-5-氰基苯并呋喃的公式：##STR1## (其中：R.sup.1和R.sup.2一起表示.dbd.O或R.sup.1表示氢，R.sup.2表示氢，羟基，烷氧基，酰氧基，烷氧羰酰氧基，烷基硫代羰酰氧基，卤素，异硫氰酸酯，氨基，烷基氨基，二烷基氨基，芳基氨基，酰胺基，烷氧羰酰胺基，烷基硫代羰酰胺基，N-键合杂环基，氰基或烷硫基; R.sup.3和R.sup.4一起表示烷基亚基或各自表示氢或烷基; R.sup.5、R.sup.6和R.sup.7，可以相同也可以不同，各自表示氢，卤素，烷基，烷氧基，酰基或氰基)，其制备过程以及含有它们的除草剂组合物。
• Cyanbenzofuran derivatives, processes for their preparation and their use in herbicidal compositions; cyanobenzene, benzodioxepine, benzodioxaphosphepine and benzodioxathiepine derivatives
  申请人：FBC LIMITED

  公开号：EP0007719A2

  公开（公告）日：1980-02-06

  The invention provides herbicidally-active 2,3-dihydro-5-cyano-benzofurans of the formula: (wherein: R' and R2 together represent =O or R' represents hydrogen and R2 represents hydrogen, hydroxy, alkoxy, acyloxy, alkoxycarbonyloxy, alkylthiocarbonyloxy, halogen, isothiocyanato, amino, alkylamino, dialkylamino, arylamino, acylamino, alkoxycarbonylamino, alkyhhiocarbonylamino. N-bonded heterocyclyl, cyano or alkylthio; R3 and R4 together represent alkylene or each represent hydrogen or alkyl; and R5, R6 and R7, which may be the same or different, each represent hydrogen, halogen, alkyl, alkoxy, acyl or cyano), processes for their preparation and herbicidal compositions containing them.

  本发明提供了具有除草活性的 2,3-二氢-5-氰基苯并呋喃，其化学式为 其中R'和R2一起代表＝O或R'代表氢，R2代表氢、羟基、烷氧基、酰氧基、烷氧基羰氧基、烷硫基羰氧基、卤素、异硫氰基、氨基、烷基氨基、二烷基氨基、芳基氨基、酰氨基、烷氧基羰基氨基、烷硫基羰基氨基。R3和R4共同代表亚烷基或各自代表氢或烷基；R5、R6和R7可以相同或不同，各自代表氢、卤素、烷基、烷氧基、酰基或氰基），以及它们的制备方法和含有它们的除草组合物。
• Process for preparing an aromatic compound substituted by a tertiary nitrile
  申请人：Pfizer Products Inc.

  公开号：EP1046635A1

  公开（公告）日：2000-10-25

  A process is described for preparing an aromatic compound substituted by a tertiary nitrile of Formula (1.0.0): comprising treating a substituted aromatic compound of Formula (2.0.0): with a secondary nitrile of Formula (3.0.0): in the presence of a base having a pKa numerical value in the range of from about 17 to about 30, provided that the difference in pKa numerical values between said base and the corresponding tertiary nitrile of Formula (3.0.0) is no more than about 6; in an aprotic solvent having a dielectric constant (ε) of less than about 20; and at a reaction temperature in the range of from about 0 °C to about 120 °C; whereby there is formed said tertiary-nitrile-substituted aromatic compound final product of Formula (1.0.0); wherein the constituent parts W1, W2, W3, W4, and W5; and the substituent moieties R1, R2, R3, R4, R5, R6, and R7 in the compounds of Formulas (1.0.0), (2.0.0) and (3.0.0) are selected from known organic groups and radicals as further detailed in the instant specification.

  描述了一种制备被式（1.0.0）叔腈取代的芳香族化合物的工艺： 包括处理式(2.0.0)的被取代的芳香族化合物： 用式（3.0.0）的仲腈： 在具有 pKa 数值在约 17 至约 30 范围内的碱存在下，条件是所述碱和式 (3.0.0)的相应叔腈之间的 pKa 数值之差不大于约 6；在介电常数 (ε)小于约 20 的钝溶剂中；以及在约 0 °C 至约 120 °C 的反应温度范围内；由此形成式 (1.0.0) 的所述叔腈取代的芳香族化合物最终产物。0.0)；其中式(1.0.0)、(2.0.0)和(3.0.0)化合物中的组成部分W1、W2、W3、W4和W5；以及取代基R1、R2、R3、R4、R5、R6和R7选自已知的有机基团和基团，详见本发明说明书。
• Cobalt-catalyzed C H activation/C O formation: Synthesis of benzofuranones
  作者：Abdol R. Hajipour、Zahra Khorsandi

  DOI：10.1016/j.tetlet.2019.151396

  日期：2020.1

  Herein, C-H activation/C-O formation reaction using novel cobalt catalytic system is reported. This reaction was given benzofuranones in moderate to excellent yields at room-temperature under air reaction conditions. The introduced strategy is efficient and low-cost method to synthesized benzofuranones from alpha,alpha-disubstitution acetic acid. (C) 2019 Elsevier Ltd. All rights reserved.