acetic acid-(2-chloro-5-cyano-anilide) | 53312-92-8

• 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: acetic acid-(2-chloro-5-cyano-anilide)
• 英文别名: Essigsaeure-(2-chlor-5-cyan-anilid)；4-Chlor-3-acetamino-benzonitril；N-(2-chloro-5-cyanophenyl)acetamide
• CAS: 53312-92-8
• 化学式: C₉H₇ClN₂O
• 分子量: 194.62
• InChiKey: RKUWJKAWLIGQGL-UHFFFAOYSA-N

物化性质

• 沸点：
  371.1±32.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  52.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  acetic acid-(2-chloro-5-cyano-anilide) 在 N,N,N,N-tetraethylammonium tetrafluoroborate 、 sodium hydride 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 18.67h， 生成 N-allyl-3-cyanoacetanilide
  参考文献：
  名称：

  Formation of N-Acetyl-2,3-dihydroindoles by the Electrochemical Cleavage of the Carbon-Chlorine Bond in N-Allyl-2-chloroacetanilides.

  摘要：

  The electrochemically induced radical cyclization of N-alkyl-2-chloroacetanilides to form N-acetyl-2,3-dihydroindoles has been demonstrated where the phenyl ring contains an electron withdrawing substituent such as cyano. Cyclization of N-alkyl-2-chloroacetanilide was successful in the presence of (E)-stilbene as electron transfer agent yielding 1-acetyl-3-methyl-213-dihydroindole. Indirect electrochemical reduction of N-cinnamyl-2-chloroacetanilide leads mainly to cleavage of the cinnamyl group and only a low yield of N-acetyl-3-benzyl-2,3-dihydroindole was obtained.

  DOI：

  10.3891/acta.chem.scand.52-0549
• 作为产物：
  描述：

  4-氯-3-硝基苯甲腈 在 盐酸 、 tin(ll) chloride 作用下， 生成 acetic acid-(2-chloro-5-cyano-anilide)
  参考文献：
  名称：

  Blanksma; Petri, Recueil des Travaux Chimiques des Pays-Bas, 1947, vol. 66, p. 369

  摘要：

  DOI：

文献信息

• FUNGICIDAL MIXTURES
  申请人：Gregory Vann

  公开号：US20100240619A1

  公开（公告）日：2010-09-23

  Disclosed is a fungicidal composition comprising (a) at least one compound selected from the compounds of Formula 1 N-oxides, and salts thereof, wherein R 1 , R 2 , A, G, W, Z 1 , X, J, and n are as defined in the disclosure, and (b) at least one additional fungicidal compound. Also disclosed is a method for controlling plant diseases caused by fungal plant pathogens comprising applying to the plant or portion thereof, or to the plant seed, a fungicidally effective amount of the aforesaid composition. Also disclosed is a composition comprising component (a) of aforesaid composition and at least one insecticide. Also disclosed are compounds of Formula 1A, 1B and 1C, wherein R 1 , R 2 , A, G, W, Z 1 , X, J, n, Z 3 , M and J 1 are as defined in the disclosure.

  公开了一种含真菌化合物，包括：(a)至少一种选自公式1 N-氧化物的化合物，以及它们的盐类，其中R1，R2，A，G，W，Z1，X，J和n如公开所述定义，以及（b）至少一种额外的含真菌化合物。还公开了一种控制由真菌植物病原体引起的植物病害的方法，包括将有效量的前述组合物施用于植物或其部分，或施用于植物种子。还公开了一种组合物，包括前述组合物的组分(a)和至少一种杀虫剂。还公开了公式1A，1B和1C的化合物，其中R1，R2，A，G，W，Z1，X，J，n，Z3，M和J1如公开所述定义。
• Direct Electrochemical Ritter‐Type Amination of Electron‐Deficient Arenes
  作者：Youtian Fu、Ling Zhang、Maolin Sun、Liming Cao、Lei Yang、Ruihua Cheng、Yueyue Ma、Jinxing Ye

  DOI：10.1002/ejoc.202300553

  日期：2023.9.14

  method is characterized by inexpensive and easily accessible regents, atom and step economy. With moderate to good yields, this useful and simple process produces a number of acetanilides from simple electron-deficient arenes, including mono-, di-, and tri-substituted arenes.

  开发了一种在温和条件下用于缺电子 C(sp 2 )−H Ritter 型胺化的实用且直接方法的电化学方案。该方法的特点是试剂便宜且易于获得、原子和步骤经济。这种有用且简单的方法可以从简单的缺电子芳烃（包括单取代、二取代和三取代芳烃）产生多种乙酰苯胺，产率中等至良好。
• US8449898B2
  申请人：——

  公开号：US8449898B2

  公开（公告）日：2013-05-28
• [EN] FUNGICIDAL MIXTURES<br/>[FR] MÉLANGES FONGICIDES
  申请人：DU PONT

  公开号：WO2009055514A2

  公开（公告）日：2009-04-30

  Disclosed is a fungicidal composition comprising (a) at least one compound selected from the compounds of Formula 1 N-oxides, and salts thereof, wherein R1, R2, A, G, W, Z1, X, J, and n are as defined in the disclosure, and (b) at least one additional fungicidal compound. Also disclosed is a method for controlling plant diseases caused by fungal plant pathogens comprising applying to the plant or portion thereof, or to the plant seed, a fungicidally effective amount of the aforesaid composition. Also disclosed is a composition comprising component (a) of aforesaid composition and at least one insecticide. Also disclosed are compounds of Formula 1A, 1B and 1C, wherein R1, R2, A, G, W, Z1, X, J, n, Z3, M and J1are as defined in the disclosure.
• Blanksma; Petri, Recueil des Travaux Chimiques des Pays-Bas, 1947, vol. 66, p. 369
  作者：Blanksma、Petri

  DOI：——

  日期：——