2-(4-tert-butylphenoxy)-N-(propan-2-ylideneamino)acetamide

• 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: 2-(4-tert-butylphenoxy)-N-(propan-2-ylideneamino)acetamide
• 化学式: C₁₅H₂₂N₂O₂
• 分子量: 262.352
• InChiKey: STLHIJKIYJOMEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  50.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(4-叔丁基苯氧基)乙酸乙酯 在 一水合肼 作用下， 以 乙醇 、 水 为溶剂， 反应 6.0h， 生成 2-(4-tert-butylphenoxy)-N-(propan-2-ylideneamino)acetamide
  参考文献：
  名称：

  Structure and spectroscopic characteristics of 4-tert-butylphenoxyacetylhydrazones of arylaldehydes

  摘要：

  reaction of 4-tert-butylphenoxyacetylhydrazide with aromatic aldehydes and acetone a new series of 4-tert-butylphenoxyacetylhydrazones was synthesized. The structural peculiarities of the investigated molecules have been determined by means of X-ray analysis and IR spectroscopy. The diagnostically important IR spectral criteria required for the conformational analysis of acethylhydrazones have been considered. It was established that the 4-tert-butylphenoxyacetylhydrazide in condensed phase exists only as a Z(N-C(O))-conformer. Its derivatives exist as EN-C(O) and Z(N-C(O))-forms. As a rule, the prevalence of Z(N-C(O))-form has been observed in CCl4 solutions. The structure of investigated compounds is also determined by a system of inter- and intrantolecular hydrogen bonds. The energy of hydrogen bonds was estimated. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2006.02.049

文献信息

• Structure and spectroscopic characteristics of 4-tert-butylphenoxyacetylhydrazones of arylaldehydes
  作者：S.N. Podyachev、I.A. Litvinov、R.R. Shagidullin、B.I. Buzykin、I. Bauer、D.V. Osyanina、L.V. Avvakumova、S.N. Sudakova、W.D. Habicher、A.I. Konovalov

  DOI：10.1016/j.saa.2006.02.049

  日期：2007.2

  reaction of 4-tert-butylphenoxyacetylhydrazide with aromatic aldehydes and acetone a new series of 4-tert-butylphenoxyacetylhydrazones was synthesized. The structural peculiarities of the investigated molecules have been determined by means of X-ray analysis and IR spectroscopy. The diagnostically important IR spectral criteria required for the conformational analysis of acethylhydrazones have been considered. It was established that the 4-tert-butylphenoxyacetylhydrazide in condensed phase exists only as a Z(N-C(O))-conformer. Its derivatives exist as EN-C(O) and Z(N-C(O))-forms. As a rule, the prevalence of Z(N-C(O))-form has been observed in CCl4 solutions. The structure of investigated compounds is also determined by a system of inter- and intrantolecular hydrogen bonds. The energy of hydrogen bonds was estimated. (c) 2006 Elsevier B.V. All rights reserved.