N',N'-diethylheptanohydrazide | 1241961-03-4

• 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: N',N'-diethylheptanohydrazide
• 英文别名: 2',2'-diethylheptanohydrazide；N',N'-diethylheptanehydrazide
• CAS: 1241961-03-4
• 化学式: C₁₁H₂₄N₂O
• 分子量: 200.324
• InChiKey: SSOWNIIRLMDEKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N',N'-diethylheptanohydrazide 在 盐酸 作用下， 以 氯仿 为溶剂， 反应 1.5h， 生成 N',N'-diethylheptanohydrazidinium chloride
  参考文献：
  名称：

  N′,N′-dialkylhydrazides and their protonated forms: ab initio calculations and studies by physical methods

  摘要：

  RHF/6-31G(d) and MP2/6-31G(d) quantum-chemical calculations of N', N'-dimethylethanohydrazide molecule and also MP2/6-31G(d) calculations of its protonated forms were performed. With the use of IR and H-1 NMR spectroscopy the series of N',N'-dialkylhydrazides and their salts with HCl and H2SO4 were studied. The position of proton addition was determined. The experimental results were compared with the calculated findings.

  DOI：

  10.1134/s1070363209110127

文献信息

• Copper(II) complexing with 2′,2′-diethylheptanohydrazide
  作者：V. Yu. Gusev、A. V. Radushev、L. S. Shabalina、V. I. Karmanov

  DOI：10.1134/s0036023611040115

  日期：2011.4

  Acid-base properties of 2',2'-diethylheptanohydrazide (DEHH) and its complex formation with copper(II) ions in water-isopropanol solutions were studied. Cationic complexes with [Cu2+] : [DEHH] ratios of 1 : 1 and 1 : 2 were found to be formed in weak acid media, and an uncharged complex with a [Cu2+] : [DEHH] ratio of 1 : 2 was found to be formed in a basic medium. log K (st) values were determined. The data obtained were compared with the stability constants of copper(II) 2',2'-diethylbenzohydrazide complexes.
• [EN] ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF<br/>[FR] COMPOSÉS ANTIPROLIFÉRATIFS ET LEURS UTILISATIONS THÉRAPEUTIQUES
  申请人：UNIV MILANO BICOCCA

  公开号：WO2009121535A2

  公开（公告）日：2009-10-08

  Inhibitors of the oncogenic tyrosine kinase ALK and of the Bcr-Abl mutant T315I Bcr-Abl, pharmaceutical compositions comprising the same and the use thereof for the treatment of hyper-proliferative diseases.