1-benzhydryl-4-[3-(ethoxycarbonyl)phenyl]-3,5-bis(methoxycarbonyl)-1,4-dihydropyridine | 496788-79-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-benzhydryl-4-[3-(ethoxycarbonyl)phenyl]-3,5-bis(methoxycarbonyl)-1,4-dihydropyridine
• 英文别名: dimethyl 1-benzhydryl-4-(3-ethoxycarbonylphenyl)-4H-pyridine-3,5-dicarboxylate
• CAS: 496788-79-5
• 化学式: C₃₁H₂₉NO₆
• 分子量: 511.574
• InChiKey: QNVRPDKNSGFUGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  38
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  82.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-benzhydryl-4-[3-(ethoxycarbonyl)phenyl]-3,5-bis(methoxycarbonyl)-1,4-dihydropyridine 在 三氟乙酸 、 苯酚 作用下， 以73%的产率得到4-[3-(ethoxycarbonyl)phenyl]-3,5-bis(methoxycarbonyl)-1,4-dihydropyridine
  参考文献：
  名称：

  Synthesis of 4-functionalized aryl-3,5-diacyl-1,4-dihydropyridines

  摘要：

  The valuable N-unsubstituted 4-aryl-3,5-diacyl-1,4-dihydropyridines 12b-f, bearing an electron-withdrawing substituent at the benzene ring, have been synthesized by the copper-mediated addition of functionalized arylmagnesium reagents 2b-f to N-benzhydrylpyridinium salt 9, followed by acylation with trichloroacetic anhydride and the subsequent haloform reaction and N-deprotection. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00941-9
• 作为产物：
  描述：

  烟酸甲酯 在 copper(l) iodide 作用下， 以 四氢呋喃 、 甲醇 、 丙酮 为溶剂， 反应 267.02h， 生成 1-benzhydryl-4-[3-(ethoxycarbonyl)phenyl]-3,5-bis(methoxycarbonyl)-1,4-dihydropyridine
  参考文献：
  名称：

  Synthesis of 4-functionalized aryl-3,5-diacyl-1,4-dihydropyridines

  摘要：

  The valuable N-unsubstituted 4-aryl-3,5-diacyl-1,4-dihydropyridines 12b-f, bearing an electron-withdrawing substituent at the benzene ring, have been synthesized by the copper-mediated addition of functionalized arylmagnesium reagents 2b-f to N-benzhydrylpyridinium salt 9, followed by acylation with trichloroacetic anhydride and the subsequent haloform reaction and N-deprotection. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00941-9

文献信息

• Synthesis of 4-functionalized aryl-3,5-diacyl-1,4-dihydropyridines
  作者：M.-Lluı̈sa Bennasar、Tomàs Roca、Manuel Monerris、Cecı́lia Juan、Joan Bosch

  DOI：10.1016/s0040-4020(02)00941-9

  日期：2002.9

  The valuable N-unsubstituted 4-aryl-3,5-diacyl-1,4-dihydropyridines 12b-f, bearing an electron-withdrawing substituent at the benzene ring, have been synthesized by the copper-mediated addition of functionalized arylmagnesium reagents 2b-f to N-benzhydrylpyridinium salt 9, followed by acylation with trichloroacetic anhydride and the subsequent haloform reaction and N-deprotection. (C) 2002 Elsevier Science Ltd. All rights reserved.