1,3-dimethoxycarbonyl-4-(p-methylphenyl)-1,4-dihydropyridine | 105619-14-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1,3-dimethoxycarbonyl-4-(p-methylphenyl)-1,4-dihydropyridine
• 英文别名: 1,3-bis(methoxycarbonyl)-4-p-tolyl-1,4-dihydropyridine；dimethyl 4-(4-methylphenyl)-4H-pyridine-1,3-dicarboxylate
• CAS: 105619-14-5
• 化学式: C₁₆H₁₇NO₄
• 分子量: 287.315
• InChiKey: AISQQAFJGZQCAA-UHFFFAOYSA-N

物化性质

• 沸点：
  413.9±45.0 °C(Predicted)
• 密度：
  1.208±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,4-二氯噻吩1,1-二氧化物 、 1,3-dimethoxycarbonyl-4-(p-methylphenyl)-1,4-dihydropyridine 以 甲苯 为溶剂， 以65%的产率得到6,7-dichloro-1,3-bis(methoxycarbonyl)-4-(p-methylphenyl)-1,4,4a,8a-tetrahydroquinoline
  参考文献：
  名称：

  Synthesis of N-substituted 4-(2-oxoalkyl)-1,4-dihydronicotinates and their inverse electron demand Diels-Alder reaction with 3,4-dichlorothiophene 1,1-dioxide

  摘要：

  DOI：

  10.1021/jo00376a051
• 作为产物：
  描述：

  烟酸甲酯 以 四氢呋喃 、 乙醚 为溶剂， 反应 21.0h， 生成 1,3-dimethoxycarbonyl-4-(p-methylphenyl)-1,4-dihydropyridine
  参考文献：
  名称：

  Synthesis, stability, and reactions of 10-Sn-5 tin ate complexes bearing four tin-carbon bonds

  摘要：

  The monocyclic organostannates (o-C6H4C(CF3)(2)O)SnR(2)(p-CH3C6H4)Li--(+)(2a-Li+(R = Me), 2b-Li+ (R = (t)Bu)) bearing four Sn-C bonds, which can be prepared from the reaction of tetracoordinate tin 3a (R = Me) and 3b (R = (t)Bu) with p-CH3C6H4Li, were found to be thermally stable but were unstable to moisture giving 3 quantitatively upon aqueous workup. These ate complexes were inert toward some typical electrophiles such as p-methoxybenzaldehyde, but were reactive enough toward 1,3-bis(methoxycarbonyl)pyridinium chloride (8) to give corresponding alkylated(arylated) dihydropyridines (9). These are quite unique examples in the respect that organostannanes bearing four Sn-C bonds, which have been known to be reluctant to form compounds of higher coordination numbers, formed stable pentacoordinate ate complexes and showed unique reactivity which differed from that of lithium reagents such as P-CH3C6H4Li which could have formed upon dissociation from the ate complexes. The reaction of 3a with (n)BuLi gave complex mixtures after treatment with water indicating that the expected ate complexes (o-C6H4C(CF3)(2)O)SnMe(2)((n)Bu)(-)Ki(+)(2c-Li+) was thermally unstable and existed in an equilibrium with a ring-opened structure 5c.

  DOI：

  10.1016/0022-328x(95)05634-2

文献信息

• A novel hypervalent antimony ate complex (12-Sb-6)
  作者：Kinya Akiba、Hisao Fujikawa、Yuka Sunaguchi、Yohsuke Yamamoto

  DOI：10.1021/ja00238a044

  日期：1987.2