N-(1-benzoylamino-2,2-dichloroethyl)benzamidine | 76543-31-2

• 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: N-(1-benzoylamino-2,2-dichloroethyl)benzamidine
• 英文别名: N-[1-[[amino(phenyl)methylidene]amino]-2,2-dichloroethyl]benzamide
• CAS: 76543-31-2
• 化学式: C₁₆H₁₅Cl₂N₃O
• 分子量: 336.221
• InChiKey: SIAHQEGHXNRPBE-UHFFFAOYSA-N

物化性质

• 熔点：
  144-146 °C(Solv: methanol (67-56-1))
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  67.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  sodium methylate 、 N-(1-benzoylamino-2,2-dichloroethyl)benzamidine 以 甲醇 为溶剂， 反应 4.0h， 生成 2-(methoxymethyl)-4,6-diphenyl-1,3,5-triazine
  参考文献：
  名称：

  Cyclocondensation of 2,2-dichloroethenylbenzamide and its analogs with amidines and hydrogen sulfide in the presence of bases

  摘要：

  Available chlorine-containing enamides of the general formula Cl(2)C=CHNHCOR (I) easily react with benzamidine and its derivatives to give 1:1 adducts which under heating with sodium methylate transform to 2-(methoxymethyl)-4,5-diaryl-s-triazines. Reaction of compounds (I) with hydrogen sulfide in the presence of triethylamine yields a mixture of products. Only the corresponding 3,5-bis(acylaminomethyl)-1,2,4-tritiolanes were isolated from the reaction mixture in moderate yield.

  DOI：

  10.1134/s1070363209030268
• 作为产物：
  描述：

  N-2,2-dichlorovinylbenzamide 、 苄脒盐酸盐 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以89%的产率得到N-(1-benzoylamino-2,2-dichloroethyl)benzamidine
  参考文献：
  名称：

  Vinogradova, T. K.; Mis'kevich, G. N.; Drach, B. S., Journal of Organic Chemistry USSR (English Translation), 1980, vol. 16, p. 1587 - 1592

  摘要：

  DOI：

文献信息

• Vinogradova, T. K.; Mis'kevich, G. N.; Drach, B. S., Journal of Organic Chemistry USSR (English Translation), 1980, vol. 16, p. 1587 - 1592
  作者：Vinogradova, T. K.、Mis'kevich, G. N.、Drach, B. S.

  DOI：——

  日期：——
• VINOGRADOVA T. K.; MISKEVICH G. N.; DRACH B. S., ZH. ORGAN. XIMII, 1980, 16, HO 9, 1869-1874
  作者：VINOGRADOVA T. K.、 MISKEVICH G. N.、 DRACH B. S.

  DOI：——

  日期：——
• Cyclocondensation of 2,2-dichloroethenylbenzamide and its analogs with amidines and hydrogen sulfide in the presence of bases
  作者：B. A. Demidchuk、S. O. Seferov、A. N. Vasilenko、V. S. Brovarets、B. S. Drach

  DOI：10.1134/s1070363209030268

  日期：2009.3

  Available chlorine-containing enamides of the general formula Cl(2)C=CHNHCOR (I) easily react with benzamidine and its derivatives to give 1:1 adducts which under heating with sodium methylate transform to 2-(methoxymethyl)-4,5-diaryl-s-triazines. Reaction of compounds (I) with hydrogen sulfide in the presence of triethylamine yields a mixture of products. Only the corresponding 3,5-bis(acylaminomethyl)-1,2,4-tritiolanes were isolated from the reaction mixture in moderate yield.