Hydroxy-n-pentyl-malonsaeure | 21040-07-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Hydroxy-n-pentyl-malonsaeure
• 英文别名: Pent-1-yl-tartronsaeure；Pentyltartronsaeure；2-Hydroxy-2-pentylpropanedioic acid；2-hydroxy-2-pentylpropanedioic acid
• CAS: 21040-07-3
• 化学式: C₈H₁₄O₅
• 分子量: 190.196
• InChiKey: JNUMOGDVJJBLBM-UHFFFAOYSA-N

物化性质

• 沸点：
  392.3±27.0 °C(Predicted)
• 密度：
  1.290±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  94.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Hydroxy-n-pentyl-malonsaeure 生成 2-羟基庚酸
  参考文献：
  名称：

  Achmatowicz,O.; Achmatowicz,O., Roczniki Chemii, 1962, vol. 36, p. 1791 - 1813

  摘要：

  DOI：
• 作为产物：
  描述：

  西诺戊宗 在 sodium hydroxide 、 双氧水 作用下， 生成 Hydroxy-n-pentyl-malonsaeure
  参考文献：
  名称：

  Synthese von substituierten 1, 2-Malonyl-1,2-dihydrocinnolinen (1,3-Dioxo-2, 3-dihydro-1H-pyrazolo [1, 2-a] cinnolinen) mit antiinflammatorischen Eigenschaften

  摘要：

  AbstractA new class of antiphlogistic substances is described. They are 4‐phenyl‐1, 2‐dihydrocinnolins diacylated in 1, 2‐position by alkylmalonic acids. The compound which pharmacologically has been investigated most thoroughly is cinnopentazone (II). Its synthesis and behaviour towards hydrolytic and oxidative agents are described. Some relations between the chemical structure of these series of substances and their antiinflammatory activity as well as their classification as antiphlogistics according to some model reactions are discussed.

  DOI：

  10.1002/hlca.19680510813

文献信息

• Synthese von substituierten 1, 2-Malonyl-1,2-dihydrocinnolinen (1,3-Dioxo-2, 3-dihydro-1H-pyrazolo [1, 2-a] cinnolinen) mit antiinflammatorischen Eigenschaften
  作者：F. Schatz、Th. Wagner-Jauregg

  DOI：10.1002/hlca.19680510813

  日期：1968.10.31

  AbstractA new class of antiphlogistic substances is described. They are 4‐phenyl‐1, 2‐dihydrocinnolins diacylated in 1, 2‐position by alkylmalonic acids. The compound which pharmacologically has been investigated most thoroughly is cinnopentazone (II). Its synthesis and behaviour towards hydrolytic and oxidative agents are described. Some relations between the chemical structure of these series of substances and their antiinflammatory activity as well as their classification as antiphlogistics according to some model reactions are discussed.
• Achmatowicz,O.; Achmatowicz,O., Roczniki Chemii, 1962, vol. 36, p. 1791 - 1813
  作者：Achmatowicz,O.、Achmatowicz,O.

  DOI：——

  日期：——