2-<5-(phthalimido)pentoxy>benzaldehyde | 153506-39-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-<5-(phthalimido)pentoxy>benzaldehyde
• 英文别名: 2-[5-(1,3-Dioxoisoindol-2-yl)pentoxy]benzaldehyde
• CAS: 153506-39-9
• 化学式: C₂₀H₁₉NO₄
• 分子量: 337.375
• InChiKey: VCCMGHCHEWMSQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  63.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-<5-(phthalimido)pentoxy>benzaldehyde 在 potassium carbonate 、 一水合肼 、 溶剂黄146 、 苄胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 17.0h， 生成 VUF 4622
  参考文献：
  名称：

  Synthesis and in vitro pharmacology of a series of new 1,4-dihydropyridines. 2. Diethyl 4-[2-(ω-aminoalkoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylates and their corresponding isothioureas as tools for determining structure-activity relationships

  摘要：

  The synthesis, in vitro calcium channel blocking activities and the affinities for the Ca2+-entry receptor protein, of a new series of diethyl 2,6-dimethyl-4-[2-(omega-substituted-alkoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylates are discussed. Increasing the omega-substituted alkoxy chain length from pentoxy to decoxy is found not to affect the calcium channel blocking activity or affinity in both diethyl 4-[2-(omega-aminoalkoxy)phenyl]-2,6-dimethyl-1,4dihydropyridine-3,5-dicarboxylates and diethyl 2,6-dimethyl-4-[2-(omega-thiourea omega-thiouronium substituted-alkoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylates.

  DOI：

  10.1016/0223-5234(93)90048-j
• 作为产物：
  描述：

  N-(5-溴戊基)邻苯二甲酰亚胺 、 水杨醛 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以100%的产率得到2-<5-(phthalimido)pentoxy>benzaldehyde
  参考文献：
  名称：

  Synthesis and in vitro pharmacology of a series of new 1,4-dihydropyridines. 2. Diethyl 4-[2-(ω-aminoalkoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylates and their corresponding isothioureas as tools for determining structure-activity relationships

  摘要：

  The synthesis, in vitro calcium channel blocking activities and the affinities for the Ca2+-entry receptor protein, of a new series of diethyl 2,6-dimethyl-4-[2-(omega-substituted-alkoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylates are discussed. Increasing the omega-substituted alkoxy chain length from pentoxy to decoxy is found not to affect the calcium channel blocking activity or affinity in both diethyl 4-[2-(omega-aminoalkoxy)phenyl]-2,6-dimethyl-1,4dihydropyridine-3,5-dicarboxylates and diethyl 2,6-dimethyl-4-[2-(omega-thiourea omega-thiouronium substituted-alkoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylates.

  DOI：

  10.1016/0223-5234(93)90048-j