N,N-diisopropylethanamide dimethyl acetal | 1071091-05-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N,N-diisopropylethanamide dimethyl acetal
• 英文别名: N-(1,1-dimethoxyethyl)-N-propan-2-ylpropan-2-amine
• CAS: 1071091-05-8
• 化学式: C₁₀H₂₃NO₂
• 分子量: 189.298
• InChiKey: IARWDKCJAXLSNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  21.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N,N-diisopropylethanamide dimethyl acetal 、 5’-脱氧-5-氟胞嘧啶核苷 以 甲醇 为溶剂， 反应 10.0h， 以31.7%的产率得到N'-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-N,N-di(propan-2-yl)ethanimidamide
  参考文献：
  名称：

  Design, synthesis and anti-tumoractivity of novel amidine derivatives of doxifluridine

  摘要：

  A series of novel amidine derivatives of doxifluridine were synthesized using acid amide as the starting material, and their antitumor activity was evaluated in A549 cells. Compounds 10 and 11 demonstrated were more potent than 5-Fu, which was used as a positive control. Compound 10, which were found to be the most potent one with IC50 of 3.2 mu mol/L, was 16 times more potent than 5-Fu with IC50 of 52 mu mol/L to the A549 cells. A new route was designed to synthesize 5'-deoxy-5-fluorocytidine. All compounds were characterized by H-1 NMR, MS and X-ray spectras in detail. (C) 2009 K. Li. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2009.10.013
• 作为产物：
  描述：

  乙酸二异丙胺 、 sodium methylate 、 硫酸二甲酯 以 Petroleum ether 为溶剂， 反应 4.5h， 生成 N,N-diisopropylethanamide dimethyl acetal
  参考文献：
  名称：

  Design, synthesis and anti-tumoractivity of novel amidine derivatives of doxifluridine

  摘要：

  A series of novel amidine derivatives of doxifluridine were synthesized using acid amide as the starting material, and their antitumor activity was evaluated in A549 cells. Compounds 10 and 11 demonstrated were more potent than 5-Fu, which was used as a positive control. Compound 10, which were found to be the most potent one with IC50 of 3.2 mu mol/L, was 16 times more potent than 5-Fu with IC50 of 52 mu mol/L to the A549 cells. A new route was designed to synthesize 5'-deoxy-5-fluorocytidine. All compounds were characterized by H-1 NMR, MS and X-ray spectras in detail. (C) 2009 K. Li. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2009.10.013