methyltrifluoroterephthalonitrile

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyltrifluoroterephthalonitrile
• 英文别名: 2,3,5-Trifluoro-6-methylbenzene-1,4-dicarbonitrile
• 化学式: C₉H₃F₃N₂
• 分子量: 196.131
• InChiKey: ROMYGDYFWCLHQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  四氟对苯二腈 在 甲基溴化镁 作用下， 以 四氢呋喃 为溶剂， 以9 mol的产率得到2,3,5,6-四氟-4-甲基苯甲腈
  参考文献：
  名称：

  The mono-alkyldecyanation of tetrafluoroterephthalonitrile by reaction with Grignard reagents

  摘要：

  DOI：

  10.1016/0022-328x(86)80076-6

文献信息

• Grignard syntheses
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0119701A1

  公开（公告）日：1984-09-26

  Acompound(I): in which A is C-CN or N, R is alkyl, aralkyl, (C3 or more) alkenyl, whose double bond is not attached to the carbon atom linked to the benzene or pyridine ring, or alkynyl, is prepared by treating a compound (II): with 1 to 2 mols/mol of a Grignard reagent, RMgX. Treatment of (I), in which A is C-CN, with further Grignard reagent gives a Grignard compound (III): in which Q is CN or halo. Compound (III) can be obtained by a single stage process from tetrafluorotherephthalonitrile using more than 2 mols, preferably 3 mols, of Grignard reagent and may be used to form a compound (IV): in which R2 is hydrogen, alkyl, alkenyl, hydroxy, carboxy, a carboxylic ester, formyl, hydroxyalkyl, alkoxyalkyl, or in which R3 and R4, which may be the same or different, are hydrogen or alkyl, by a Grignard reaction conventionally used to transform a Grignard compound ArMgX2, in which Ar is aryl and X2 is halo, into a compound Ar-R2. Compounds (I), (III) and (IV) are useful intermediates in the synthesis of pesticidal compounds.

  化合物(I)： 其中 A 为 C-CN 或 N，R 为烷基、芳烷基、（C3 或以上）烯基（其双键不连接到与苯环或吡啶 环相连的碳原子上）或炔基，通过处理化合物（II）制备： 用 1 至 2 摩尔/摩尔的格氏试剂 RMgX。 用更多的格氏试剂处理（I）（其中 A 为 C-CN），可得到格氏化合物（III）： 其中 Q 为 CN 或卤代。化合物(III)可通过使用 2 mol，最好是 3 mol 以上的格氏试剂，从四氟对苯二甲腈中单步制得，并可用于生成化合物(IV)： 其中 R2 是氢、烷基、烯基、羟基、羧基、羧酸酯、甲酰基、羟烷基、烷氧基烷基，或 其中 R3 和 R4（可以相同或不同）为氢或烷基，通过格氏反应将格氏化合物 ArMgX2（其中 Ar 为芳基，X2 为卤代）转化为化合物 Ar-R2，该反应通常用于格氏化合物 ArMgX2（其中 Ar 为芳基，X2 为卤代）。 化合物 (I)、(III) 和 (IV) 是合成杀虫剂化合物的有用中间体。
• MILNER, D. J., J. ORGANOMET. CHEM., 1986, 302, N 2, 147-152
  作者：MILNER, D. J.

  DOI：——

  日期：——
• LADDER POLYMERS WITH INSTRINSIC MICROPOROSITY AND PROCESS FOR PRODUCTION THEREOF
  申请人：Du Naiying

  公开号：US20110190409A1

  公开（公告）日：2011-08-04

  A polymer of formula (I): where: n is an integer from 10 to 5,000; m is an integer from 10 to 5,000; Ar1 and Ar3 are the same or different and are residues derived from a tetra-hydroxy aromatic monomer, the tetra-hydroxy aromatic monomer being wherein R is the same or different and is H or a C 1 -C 8 alkyl, C2-C8 alkenyl or C 3 -C 8 cycloalkyl group; and, Ar2 and Ar4 are the same or different and are residues derived from a tetra-halogenated aromatic monomer, the tetra-halogenated aromatic monomer being wherein X is F, Cl or Br, and R1 and R2 are the same or different and are wherein y is an integer from 1 to 8; with the proviso that when Ar1 is the same as Ar3 and Ar2 is the same as Ar4, R1 and R2 are not both —CN is useful as a material for gas separation, vapor separation, adsorbents or catalysis.
• LADDER POLYMERS WITH INTRINSIC MICROPOROSITY AND PROCESS FOR PRODUCTION THEREOF
  申请人：DU Naiying

  公开号：US20140243441A1

  公开（公告）日：2014-08-28

  A polymer of formula (I): where: n is an integer from 10 to 5,000; m is an integer from 10 to 5,000; Ar1 and Ar3 are the same or different and are residues derived from a tetra-hydroxy aromatic monomer, the tetra-hydroxy aromatic monomer being wherein R is the same or different and is H or a C 1 -C 8 alkyl, C 2 -C 8 alkenyl or C 3 -C 8 cycloalkyl group; and, Ar2 and Ar4 are the same or different and are residues derived from a tetra-halogenated aromatic monomer, the tetra-halogenated aromatic monomer being wherein X is F, Cl or Br, and R1 and R2 are the same or different and are wherein y is an integer from 1 to 8; with the proviso that when Ar1 is the same as Ar3 and Ar2 is the same as Ar4, R1 and R2 are not both —CN is useful as a material for gas separation, vapor separation, adsorbents or catalysis.
• POROUS CYCLODEXTRIN POLYMERIC MATERIALS AND METHODS OF MAKING AND USING SAME
  申请人：Cornell University

  公开号：US20160304630A1

  公开（公告）日：2016-10-20

  A nucleophilic substitution reaction to crosslink cyclodextrin (CD) polymer with rigid aromatic groups, providing a high surface area, mesoporous CD-containing polymers (P-CDPs). The P-CDPs can be used for removing organic contaminants from water. By encapsulating pollutants to form well-defined host-guest complexes with complementary selectivities to activated carbon (AC) sorbents. The P-CDPs can rapidly sequester pharmaceuticals, pesticides, and other organic micropollutants, achieving equilibrium binding capacity in seconds with adsorption rate constants 15-200 times greater than ACs and nonporous CD sorbents. The CD polymer can be regenerated several times, through a room temperature washing procedure, with no loss in performance.