Methyl 4-carbamoyl-1-cyclopentylpyridine-4-carboxylate | 1268484-47-4

• 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: Methyl 4-carbamoyl-1-cyclopentylpyridine-4-carboxylate
• 英文别名: methyl 4-carbamoyl-1-cyclopentylpyridine-4-carboxylate
• CAS: 1268484-47-4
• 化学式: C₁₃H₁₈N₂O₃
• 分子量: 250.298
• InChiKey: KPHOMQVJJHQKAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  72.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 4-carbamoyl-1-cyclopentylpyridine-4-carboxylate 在 吡啶 、 溴 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 以60%的产率得到Methyl 3,5-dibromo-4-carbamoyl-1-cyclopentylpyridine-4-carboxylate
  参考文献：
  名称：

  An investigation of the bromination of 1,4-dihydropyridine rings

  摘要：

  Conditions for bromination at the C3 and C5 positions of a 1,4-dihydropyridine (DHP) were investigated. The effect of base concentration, base type, reaction temperature, and solvent were examined. DHP derivatives with ester and amide moieties were synthesized and brominated. The bromine atoms can be replaced by other substituents, utilizing Suzuki cross coupling. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.11.146
• 作为产物：
  描述：

  1-cyclopentyl-4,4-bis(methoxycarbonyl)-1,4-dihydropyridine 在 氨 作用下， 以 甲醇 为溶剂， 反应 48.0h， 以23%的产率得到Methyl 4-carbamoyl-1-cyclopentylpyridine-4-carboxylate
  参考文献：
  名称：

  An investigation of the bromination of 1,4-dihydropyridine rings

  摘要：

  Conditions for bromination at the C3 and C5 positions of a 1,4-dihydropyridine (DHP) were investigated. The effect of base concentration, base type, reaction temperature, and solvent were examined. DHP derivatives with ester and amide moieties were synthesized and brominated. The bromine atoms can be replaced by other substituents, utilizing Suzuki cross coupling. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.11.146

文献信息

• An investigation of the bromination of 1,4-dihydropyridine rings
  作者：Ori Rorlik、Zeev Tashma、Claudia M. Barzilay、Morris Srebnik

  DOI：10.1016/j.tetlet.2010.11.146

  日期：2011.2

  Conditions for bromination at the C3 and C5 positions of a 1,4-dihydropyridine (DHP) were investigated. The effect of base concentration, base type, reaction temperature, and solvent were examined. DHP derivatives with ester and amide moieties were synthesized and brominated. The bromine atoms can be replaced by other substituents, utilizing Suzuki cross coupling. (C) 2010 Elsevier Ltd. All rights reserved.