nitrodichloroacetamide | 119666-26-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: nitrodichloroacetamide
• 英文别名: dichloro-nitro-acetic acid amide；Dichlor-nitro-essigsaeure-amid；Bischloronitroacetamidate；2,2-dichloro-2-nitroacetamide
• CAS: 119666-26-1
• 化学式: C₂H₂Cl₂N₂O₃
• 分子量: 172.955
• InChiKey: ACMOSNRGQGBAHX-UHFFFAOYSA-N

物化性质

• 熔点：
  94-95 °C
• 沸点：
  237.3±40.0 °C(Predicted)
• 密度：
  1.765±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  88.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  nitrodichloroacetamide 、 五氯化磷 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Steinkopf, Chemische Berichte, 1908, vol. 41, p. 3590

  摘要：

  DOI：
• 作为产物：
  描述：

  (E)-1-Amino-2-chloro-2-nitro-ethenol; compound with ammonia 在 磺酰氯 作用下， 以 乙醚 为溶剂， 反应 0.25h， 以93%的产率得到nitrodichloroacetamide
  参考文献：
  名称：

  Methods of preparation of halonitroacetic acid derivatives and study of the fungicidal activity of their amides and anilides on Sclerotinia sclerotiorum

  摘要：

  Anilides (II)-(XIII), (XV), (XVI), (XIX), and chloronitroacetamide (XVIII) were obtained in a yield of 38-90% by ammonolysis of the corresponding dichloro- (I) and chloronitroacetyl chlorides (XIV). Dichloronitroacetanilides (II), (V), ethyl (XX), propyl (XXI) esters and amide of dichloronitroacetic acid (XXII) were obtained by chlorination of anhydrous ammonium and sodium salts by sulfuryl chloride in absolute ether. Bromination of anhydrous salts of bromo- and chloronitroacetic acids proceeds readily in absolute alcohol. The yields of the bromination [(XXIII)-(XXVIII)] and chlorination products were 49-99%. Results are given of tests of some of the amides and anilides obtained for the inhibition of growth and development of the Sclerotinia sclerotiorum fungus.

  DOI：

  10.1007/bf00958561

文献信息

• Steinkopf; Malinowski, Chemische Berichte, 1911, vol. 44, p. 2903
  作者：Steinkopf、Malinowski

  DOI：——

  日期：——
• Dichloronitroacetic acid derivatives as acylating agents for primary amines, ammonia, and phenylhydrazine
  作者：A. I. Yurtanov、Z. M. Adkhamova、S. K. Baidildaeva

  DOI：10.1007/bf00864535

  日期：1992.5

  The corresponding carbamic acid derivatives were obtained (28-91% yields) as a result of the reaction of dichloronitroacetic acid derivatives, O2NCCl2COR, (1a-c, R = OEt, OCH2Ph, NH2) with ammonia, methylamine, benzylamine, glycine, phenylhydrazine, and aniline. The probable mechanism of the process and factors that affect the nature of the departing group were discussed.
• The synthesis of amides of halonitrocarboxylic acids
  作者：V. I. Anufriev、I. V. Martynov

  DOI：10.1007/bf00960361

  日期：1990.4
• ANUFRIEV, V. I.;MAXMUTOVA, A. A., XIMIYA FIZIOL. AKTIV. SOED., CHERNOGOLOVKA,(1989) S. 23
  作者：ANUFRIEV, V. I.、MAXMUTOVA, A. A.

  DOI：——

  日期：——
• ANUFRIEV, V. I.;MARTYNOV, I. V., IZV. AN CCCP. CEP. XIM.,(1990) N, S. 927-928
  作者：ANUFRIEV, V. I.、MARTYNOV, I. V.

  DOI：——

  日期：——