bis(2,6-dichlorobenzyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate | 1454914-61-4

• 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: bis(2,6-dichlorobenzyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• 英文别名: Bis[(2,6-dichlorophenyl)methyl] 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• CAS: 1454914-61-4
• 化学式: C₂₃H₁₉Cl₄NO₄
• 分子量: 515.22
• InChiKey: GSZDOXOQTWUDQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-氯苯甲醇 在 ammonium acetate 作用下， 以 乙醇 、 1,2-二氯乙烷 、 甲苯 为溶剂， 反应 48.0h， 生成 bis(2,6-dichlorobenzyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
  参考文献：
  名称：

  Single-Operation Deracemization of 3H-Indolines and Tetrahydroquinolines Enabled by Phase Separation

  摘要：

  The single-operation deracemization of 3H indolines and tetrahydroquinolines is described. An asymmetric redox approach was employed, in which a phosphoric acid catalyst, oxidant, and reductant are present in the reaction mixture. The simultaneous presence of both oxidant and reductant was enabled by phase separation and resulted in the isolation of highly enantioenriched starting materials in high yields.

  DOI：

  10.1021/ja4082827
• 作为试剂：
  描述：

  2-苯基喹啉 在 盐酸 、 (S)-3,3'-bis(2,4,6-tri-iso-propylphenyl)-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate 、 bis(2,6-dichlorobenzyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate 、 sodium cyanoborohydride 、 溶剂黄146 、 N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide tetrafluoroborate 作用下， 以 正己烷 、 水 、 甲苯 为溶剂， 反应 60.0h， 生成 (R)-2-phenyl-1,2,3,4-tetrahydroquinoline
  参考文献：
  名称：

  Single-Operation Deracemization of 3H-Indolines and Tetrahydroquinolines Enabled by Phase Separation

  摘要：

  The single-operation deracemization of 3H indolines and tetrahydroquinolines is described. An asymmetric redox approach was employed, in which a phosphoric acid catalyst, oxidant, and reductant are present in the reaction mixture. The simultaneous presence of both oxidant and reductant was enabled by phase separation and resulted in the isolation of highly enantioenriched starting materials in high yields.

  DOI：

  10.1021/ja4082827