4-acetoxy-nonanal | 35435-55-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-acetoxy-nonanal
• 英文别名: 4-Acetoxypelargonaldehyd；4-Acetoxynonanal；1-Oxononan-4-YL acetate
• CAS: 35435-55-3
• 化学式: C₁₁H₂₀O₃
• 分子量: 200.278
• InChiKey: NHHUJKRSGXNNQV-UHFFFAOYSA-N

物化性质

• 沸点：
  281.0±23.0 °C(Predicted)
• 密度：
  0.947±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2915390090

反应信息

• 作为反应物：
  描述：

  4-acetoxy-nonanal 在 ammonium molybdate 双氧水 作用下， 以 甲醇 为溶剂， 反应 64.0h， 生成 7-[2-(3-acetoxy-octyl)-1,1,4-trioxo-1λ⁶-thiazolidin-3-yl]-heptanoic acid methyl ester
  参考文献：
  名称：

  Prostaglandin isosteres. 1. (8-Aza-, 8,10-diaza-, and 8-aza-11-thia)-9-oxoprostanoic acids and their derivatives

  摘要：

  A series of novel (8-aza-, 8,10-diaza-, and 8-aza-11-thia)-9-oxoprostanoic acids has been synthesized and evaluated for their ability to mimic the E series prostaglandins in stimulating cAMP formation in the mouse ovary and in binding to the rat kidney plasma prostaglandin receptor. 7-[2-(3-Hydroxyoctyl)-1,1,4-trioxo-3-thiazolidinyl]heptanoic acid markedly stimulates cAMP formation at reasonable pharmacological concentrations and avidly binds to the rat kidney prostaglandin receptor.

  DOI：

  10.1021/jm00220a013
• 作为产物：
  描述：

  4-Acetoxy-1,1-diethoxynonan 在 硫酸 作用下， 以 四氢呋喃 为溶剂， 生成 4-acetoxy-nonanal
  参考文献：
  名称：

  Prostaglandin isosteres. 1. (8-Aza-, 8,10-diaza-, and 8-aza-11-thia)-9-oxoprostanoic acids and their derivatives

  摘要：

  A series of novel (8-aza-, 8,10-diaza-, and 8-aza-11-thia)-9-oxoprostanoic acids has been synthesized and evaluated for their ability to mimic the E series prostaglandins in stimulating cAMP formation in the mouse ovary and in binding to the rat kidney plasma prostaglandin receptor. 7-[2-(3-Hydroxyoctyl)-1,1,4-trioxo-3-thiazolidinyl]heptanoic acid markedly stimulates cAMP formation at reasonable pharmacological concentrations and avidly binds to the rat kidney prostaglandin receptor.

  DOI：

  10.1021/jm00220a013

文献信息

• Nikishin,G.I. et al., Journal of Organic Chemistry USSR (English Translation), 1972, vol. 8, # 3, p. 544 - 547
  作者：Nikishin,G.I. et al.

  DOI：——

  日期：——
• US4059587A
  申请人：——

  公开号：US4059587A

  公开（公告）日：1977-11-22
• US4102888A
  申请人：——

  公开号：US4102888A

  公开（公告）日：1978-07-25
• Prostaglandin isosteres. 1. (8-Aza-, 8,10-diaza-, and 8-aza-11-thia)-9-oxoprostanoic acids and their derivatives
  作者：Robert L. Smith、Ta-Jyh Lee、Norman P. Gould、Edward J. Cragoe、Helen G. Oien、Frederick A. Kuehl

  DOI：10.1021/jm00220a013

  日期：1977.10

  A series of novel (8-aza-, 8,10-diaza-, and 8-aza-11-thia)-9-oxoprostanoic acids has been synthesized and evaluated for their ability to mimic the E series prostaglandins in stimulating cAMP formation in the mouse ovary and in binding to the rat kidney plasma prostaglandin receptor. 7-[2-(3-Hydroxyoctyl)-1,1,4-trioxo-3-thiazolidinyl]heptanoic acid markedly stimulates cAMP formation at reasonable pharmacological concentrations and avidly binds to the rat kidney prostaglandin receptor.