1-Cyclohexyl-4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde | 131523-44-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吖庚因类
• 英文名称: 1-Cyclohexyl-4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde
• 英文别名: 1-cyclohexyl-4-methyl-4H-pyridine-3,5-dicarbaldehyde
• CAS: 131523-44-9
• 化学式: C₁₄H₁₉NO₂
• 分子量: 233.31
• InChiKey: BBCAIPPPMZPYTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,4-dihydroxymethylene-3-methylglutaraldehyde Na salt 、 环己胺 以 水 为溶剂， 以35%的产率得到1-Cyclohexyl-4-methyl-1,4-dihydropyridine-3,5-dicarbaldehyde
  参考文献：
  名称：

  Cleavage and oligomerization of malondialdehyde under physiological conditions

  摘要：

  DOI：

  10.1016/s0040-4039(00)94504-0

文献信息

• Cleavage and Oligomerization of Malondialdehyde
  作者：Antonio Gómez-Sánchez、Isidro Hermosín、Jose-María Lassaletta、Inés Maya

  DOI：10.1016/s0040-4020(01)85814-2

  日期：1993.2

  Malondialdehyde (MDA) slowly self-condensates in aqueous solution at pH 4.5-6 and room temperature yielding (E)-(3'-oxo-1'-propenyl)malondialdehyde and 2,4-dihydroxymethylene-3-(2'-oxoethyl)glutaraldehyde. The latter compound exists in solution in equilibrium with 4-(1,3-dioxopropan-2-yl)-5-formyl-2-hydroxy-3,4-dihydro-2H-pyran, the trans-form of which can be readily isolated as a crystalline hemipotassium salt. Cleavage of MDA also occurs under these conditions leading to acetaldehyde, which further reacts with the excess of MDA to form 2,4-dihydroxymethylene-3-methylglutaraldehyde.
• GOMEZ-SANCHEZ, ANTONIO;HERMOSIN, ISIDRO;MAYA, INES, TETRAHEDRON LETT., 31,(1990) N8, C. 4077-4080
  作者：GOMEZ-SANCHEZ, ANTONIO、HERMOSIN, ISIDRO、MAYA, INES

  DOI：——

  日期：——