3-Chlorformyl-phenyl-acetonitril | 42872-32-2

• 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: 3-Chlorformyl-phenyl-acetonitril
• 英文别名: 3-Chloroformyl-phenylacetonitrile；3-(cyanomethyl)benzoyl chloride
• CAS: 42872-32-2
• 化学式: C₉H₆ClNO
• 分子量: 179.606
• InChiKey: OAYBUIAMMUILDS-UHFFFAOYSA-N

物化性质

• 沸点：
  311.8±25.0 °C(Predicted)
• 密度：
  1.264±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-Chlorformyl-phenyl-acetonitril 在 劳森试剂 作用下， 以 甲苯 、 苯 为溶剂， 反应 30.0h， 生成 2-Cyanmethyl-thiobenzoesaeure-dimethylamid
  参考文献：
  名称：

  From donor and acceptor substitutedmeta- andpara-xylenes topara-Quinodimethanes and Poly(meta-phenylenevinylene)s

  摘要：

  Ortho-, meta-and para-xylenes 1, 13a, 13b and 13c, with donor and acceptor substituents at the alpha- and alpha' positions, lead to a remarkable variety of intermediates and reaction products after deprotonation of the benzylic proton. Thus, the reaction of para-(cyanomethyl)dialkyl[(methylthio)phenylmethylene] ammonium tetrafluoroborates 13a and 13b with sodium hydride affords the para-quinodimethanes 14a and 14b. Poly(meta-phenylenevinylene) 14c can be obtained when starting from 13c. We report the synthesis of para-quinodimethanes 14a and 14b and poly(metaphenylenevinylene) 14c and describe a successive approach towards meta-phenylenevinylenes of definite length 16b and 17b starting from 12d. Moreover, we compare the stability and reactivity of para-quinodimethane 14a and 14b with those of the ortho-quinodimethane 2 and we focus on the characterization of the resulting donor and acceptor substituted compounds.

  DOI：

  10.1002/prac.19983400412
• 作为产物：
  描述：

  3-氰甲基苯甲酸 在 氯化亚砜 作用下， 以 苯 为溶剂， 反应 24.0h， 生成 3-Chlorformyl-phenyl-acetonitril
  参考文献：
  名称：

  From donor and acceptor substitutedmeta- andpara-xylenes topara-Quinodimethanes and Poly(meta-phenylenevinylene)s

  摘要：

  Ortho-, meta-and para-xylenes 1, 13a, 13b and 13c, with donor and acceptor substituents at the alpha- and alpha' positions, lead to a remarkable variety of intermediates and reaction products after deprotonation of the benzylic proton. Thus, the reaction of para-(cyanomethyl)dialkyl[(methylthio)phenylmethylene] ammonium tetrafluoroborates 13a and 13b with sodium hydride affords the para-quinodimethanes 14a and 14b. Poly(meta-phenylenevinylene) 14c can be obtained when starting from 13c. We report the synthesis of para-quinodimethanes 14a and 14b and poly(metaphenylenevinylene) 14c and describe a successive approach towards meta-phenylenevinylenes of definite length 16b and 17b starting from 12d. Moreover, we compare the stability and reactivity of para-quinodimethane 14a and 14b with those of the ortho-quinodimethane 2 and we focus on the characterization of the resulting donor and acceptor substituted compounds.

  DOI：

  10.1002/prac.19983400412

文献信息

• Thienothienylcarbonyl-phenylalkanoic acids and derivatives thereof
  申请人：Rhone Poulenc Industries

  公开号：US04183944A1

  公开（公告）日：1980-01-15

  Compounds of the formula: ##STR1## wherein R represents hydrogen or an alkyl radical, R.sub.1 represents a hydroxy, amino or alkoxy radical or an alkylamino or dialkylamino group, the various alkyl radicals and the alkoxy radical being optionally substituted by a dialkylamino group, the alkyl radicals of the said dialkylamino groups optionally being linked together to form a heterocyclyl radical with 5 or 6 atoms in the ring, and A represents the thieno[2,3-b]thien-2-yl or thieno[3,2-b]thien-2-yl radical, the A--CO-- grouping being attached to the 3- or 4-position of the phenyl ring, have been found to possess useful pharmacological properties and are particularly active as analgesics, antipyretics, agents for inhibiting platelet aggregation and as anti-inflammatory agents.

  该化合物的式子为：##STR1## 其中R代表氢或烷基基团，R.sub.1代表羟基、氨基或烷氧基或烷基氨基或二烷基氨基基团，各种烷基基团和烷氧基可选择由二烷基氨基基团取代，所述二烷基氨基基团的烷基基团可选择连接在一起形成含有5或6个原子的杂环基团，A代表噻吩[2,3-b]噻吩-2-基或噻吩[3,2-b]噻吩-2-基，A-CO-基团连接在苯环的3-或4-位上，发现具有有用的药理学性质，特别是作为镇痛剂、退热剂、抑制血小板聚集剂和抗炎剂特别活性。
• US4124596A
  申请人：——

  公开号：US4124596A

  公开（公告）日：1978-11-07
• US4183944A
  申请人：——

  公开号：US4183944A

  公开（公告）日：1980-01-15
• From donor and acceptor substitutedmeta- andpara-xylenes topara-Quinodimethanes and Poly(meta-phenylenevinylene)s
  作者：Carsten Former、Gerrit Kl�rner、Manfred Wagner、Klaus M�llen

  DOI：10.1002/prac.19983400412

  日期：——

  Ortho-, meta-and para-xylenes 1, 13a, 13b and 13c, with donor and acceptor substituents at the alpha- and alpha' positions, lead to a remarkable variety of intermediates and reaction products after deprotonation of the benzylic proton. Thus, the reaction of para-(cyanomethyl)dialkyl[(methylthio)phenylmethylene] ammonium tetrafluoroborates 13a and 13b with sodium hydride affords the para-quinodimethanes 14a and 14b. Poly(meta-phenylenevinylene) 14c can be obtained when starting from 13c. We report the synthesis of para-quinodimethanes 14a and 14b and poly(metaphenylenevinylene) 14c and describe a successive approach towards meta-phenylenevinylenes of definite length 16b and 17b starting from 12d. Moreover, we compare the stability and reactivity of para-quinodimethane 14a and 14b with those of the ortho-quinodimethane 2 and we focus on the characterization of the resulting donor and acceptor substituted compounds.