1,1-二甲基-2-苯甲酰肼盐酸盐 | 1444-57-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,1-二甲基-2-苯甲酰肼盐酸盐
• 英文名称: 1,1-dimethyl-2-benzoylhydrazide hydrochloride
• 英文别名: benzoic acid-(N',N'-dimethyl-hydrazide); hydrochloride；Benzoesaeure-(N',N'-dimethyl-hydrazid); Hydrochlorid；N',N'-dimethylbenzohydrazide;hydrochloride
• CAS: 1444-57-1
• 化学式: C₉H₁₂N₂O*ClH
• 分子量: 200.668
• InChiKey: FHUFVDHCILIVKU-UHFFFAOYSA-N

物化性质

• 熔点：
  187-188 °C(Solvent: Chloroform ; Hexane)

计算性质

• 辛醇/水分配系数(LogP)：
  -3.52
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  33.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N',N'-dimethyl-N-vinylbenzohydrazide 在 盐酸 作用下， 以 四氯化碳 为溶剂， 生成 1,1-二甲基-2-苯甲酰肼盐酸盐
  参考文献：
  名称：

  摘要：

  Reactions of new enehydrazides, N',N'-dimethyl-N-vinylpropenohydrazide and N',N'-dimethyl-N-vinylbenzohydrazide with chloroform, phenol, and hydrogen chloride in carbon tetrachloride were studied by IR spectroscopy. In the first two cases, molecular complexes are formed between the hydrazide and proton donor. The reaction of N',N'-dimethyl-N-vinylpropenohydrazide with HCl results in formation of dihydropyrazole derivative which exists as a tautomeric mixture of the major lactam and minor lactim forms. N',N'-dimethyl-N-vinylbenzohydrazide reacts with hydrogen chloride to give protonated form in which proton is localized on the amino nitrogen atom. The structure of the initial compounds and the products was analyzed in terms of AMI quantum-chemical calculations.

  DOI：

  10.1023/a:1021643510974

文献信息

• Sarker, S. R.; Stone, D. M.; Evain, E. J., Journal of Heterocyclic Chemistry, 1994, vol. 31, # 6, p. 1535 - 1540
  作者：Sarker, S. R.、Stone, D. M.、Evain, E. J.、Cooley, J. H.、Scott, B. L.、Willett, R. D.

  DOI：——

  日期：——
• ——
  作者：G. I. Sarapulova、L. G. Rozinova、V. G. Rozinov、V. E. Kolbina

  DOI：10.1023/a:1021643510974

  日期：——

  Reactions of new enehydrazides, N',N'-dimethyl-N-vinylpropenohydrazide and N',N'-dimethyl-N-vinylbenzohydrazide with chloroform, phenol, and hydrogen chloride in carbon tetrachloride were studied by IR spectroscopy. In the first two cases, molecular complexes are formed between the hydrazide and proton donor. The reaction of N',N'-dimethyl-N-vinylpropenohydrazide with HCl results in formation of dihydropyrazole derivative which exists as a tautomeric mixture of the major lactam and minor lactim forms. N',N'-dimethyl-N-vinylbenzohydrazide reacts with hydrogen chloride to give protonated form in which proton is localized on the amino nitrogen atom. The structure of the initial compounds and the products was analyzed in terms of AMI quantum-chemical calculations.