N-仲-丁基-3-氧代丁酰胺 | 41153-94-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: N-仲-丁基-3-氧代丁酰胺
• 英文名称: N-(sec-butyl)acetoacetamide
• 英文别名: N-sec-butylacetoacetamide；N-butan-2-yl-3-oxobutanamide
• CAS: 41153-94-0
• 化学式: C₈H₁₅NO₂
• 分子量: 157.213
• InChiKey: CTOICXZEEXECEK-UHFFFAOYSA-N

物化性质

• 沸点：
  298.8±23.0 °C(Predicted)
• 密度：
  0.958±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2924199090

反应信息

• 作为反应物：
  描述：

  乌洛托品 、 N-仲-丁基-3-氧代丁酰胺 在 ammonium acetate 作用下， 以 水 为溶剂， 反应 0.75h， 以62%的产率得到1,4-dihydro-2,6-dimethyl-3,5-bis<(sec-butylamino)carbonyl>pyridine
  参考文献：
  名称：

  Reductions with NADH models. 3. The high reactivity of Hantzsch amides

  摘要：

  Aromatic ketones and aldehydes are rapidly reduced to alcohols by various 1,4-dihydropyridines, several of which can be considered to be a model of the coenzyme NADH. The reducing agents bear amide groups and are closely related to Hantzsch esters. They exhibit the highest reactivity among NADH models so far described. In some cases, the rate and completeness of reduction by Hantzsch amides compare favorably with those of reduction by the usually employed metal hydrides.

  DOI：

  10.1021/jo00032a035
• 作为产物：
  描述：

  3-p-Chlorphenyl-3.4-dihydro-2.4-dioxo-6-methyl-2H-1.3-oxazine 、 仲丁胺 在 乙醇 作用下， 反应 2.0h， 以56%的产率得到N-(p-氯苯基)氨基钾酸酯
  参考文献：
  名称：

  Kinoshita, Toshio; Takeuchi, Kozue; Kondoh, Masaya, Chemical and pharmaceutical bulletin, 1989, vol. 37, # 8, p. 2026 - 2029

  摘要：

  DOI：

文献信息

• SABRI, SALIM, S.;EL-ABADELAH, MUSTAFA, M.;OWAIS, WAJIH, M., J. CHEM. AND ENG. DATA, 1984, 29, N 2, 229-231
  作者：SABRI, SALIM, S.、EL-ABADELAH, MUSTAFA, M.、OWAIS, WAJIH, M.

  DOI：——

  日期：——
• Kinoshita, Toshio; Takeuchi, Kozue; Kondoh, Masaya, Chemical and pharmaceutical bulletin, 1989, vol. 37, # 8, p. 2026 - 2029
  作者：Kinoshita, Toshio、Takeuchi, Kozue、Kondoh, Masaya、Furukawa, Sunao

  DOI：——

  日期：——
• Reductions with NADH models. 3. The high reactivity of Hantzsch amides
  作者：Georges Gelbard、Jian Lin、Nathalie Roques

  DOI：10.1021/jo00032a035

  日期：1992.3

  Aromatic ketones and aldehydes are rapidly reduced to alcohols by various 1,4-dihydropyridines, several of which can be considered to be a model of the coenzyme NADH. The reducing agents bear amide groups and are closely related to Hantzsch esters. They exhibit the highest reactivity among NADH models so far described. In some cases, the rate and completeness of reduction by Hantzsch amides compare favorably with those of reduction by the usually employed metal hydrides.