1-benzoyl-2-benzyl-5-methylene-4-vinyl-1,2,5,6-tetrahydropyridine-2-carboxylic acid methyl ester

• 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-benzoyl-2-benzyl-5-methylene-4-vinyl-1,2,5,6-tetrahydropyridine-2-carboxylic acid methyl ester
• 英文别名: methyl 1-benzoyl-6-benzyl-4-ethenyl-3-methylidene-2H-pyridine-6-carboxylate
• 化学式: C₂₄H₂₃NO₃
• 分子量: 373.452
• InChiKey: BAOINMVHMLAONR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-benzoylamino-2-benzylhexa-3,4-dienoic acid methyl ester 在 di(rhodium)tetracarbonyl dichloride 、 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 0.17h， 生成 1-benzoyl-2-benzyl-5-methylene-4-vinyl-1,2,5,6-tetrahydropyridine-2-carboxylic acid methyl ester
  参考文献：
  名称：

  Allenes and Transition Metals:  A Diverging Approach to Heterocycles

  摘要：

  [GRAPHICS]An alkynyl allene has been converted to heterocycles possessing an alpha-alkylidene cyclopentenone, a 4-alkylidene cyclopentenone, or a cross-conjugated triene. Thus, a common intermediate has been converted to three structurally unique compounds by changing only the reaction conditions and, therefore, controlling various reaction pathways.

  DOI：

  10.1021/ol0492391

文献信息

• Allenes and Transition Metals:  A Diverging Approach to Heterocycles
  作者：Kay M. Brummond、Branko Mitasev

  DOI：10.1021/ol0492391

  日期：2004.6.1

  [GRAPHICS]An alkynyl allene has been converted to heterocycles possessing an alpha-alkylidene cyclopentenone, a 4-alkylidene cyclopentenone, or a cross-conjugated triene. Thus, a common intermediate has been converted to three structurally unique compounds by changing only the reaction conditions and, therefore, controlling various reaction pathways.