6-methyl-5-(1-benzyl-1,4-dihydronicotinoyl)-5,6,7,8-tetrahydropterin | 172758-03-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: 6-methyl-5-(1-benzyl-1,4-dihydronicotinoyl)-5,6,7,8-tetrahydropterin
• 英文别名: 2-amino-5-(1-benzyl-4H-pyridine-3-carbonyl)-6-methyl-3,6,7,8-tetrahydropteridin-4-one
• CAS: 172758-03-1
• 化学式: C₂₀H₂₂N₆O₂
• 分子量: 378.434
• InChiKey: IZFSFSWIKGCSQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N2-isobutyroyl-6-methyl-5-(1-benzyl-1,4-dihydronicotinoyl)-5,6,7,8-tetrahydropterin 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 以60%的产率得到6-methyl-5-(1-benzyl-1,4-dihydronicotinoyl)-5,6,7,8-tetrahydropterin
  参考文献：
  名称：

  Pteridines CXX. Synthesis and Properties of Tetrahydropterins Coupled to 1,4-Dihydropyridines

  摘要：

  N(2)-Isobutyroyl-5,6,7,8-tetrahydropterins (6-10) have been coupled with nicotinic acid to form the N(5)-nicotinoyl derivatives 11-15. Quaternization at the pyridine moiety led to 19-31 which can be reduced to the corresponding N-substituted 1,4-dihydropyridine dertivatives 35-39. Partial deacylation of the isobutyroyl group afforded the various types of terahydropterins 16-18, 32-34 and 40-42. The newly synthesized 5,6,7,8-tetrahydropterin derivatives have been characterized by pK(a)-determinations, UV- and NMR-spectra as well as elemental analyses.

  DOI：

  10.3987/com-08-s(f)70

文献信息

• Pteridines CXX. Synthesis and Properties of Tetrahydropterins Coupled to 1,4-Dihydropyridines
  作者：Wolfgang Pfleiderer、Joachim Rehse

  DOI：10.3987/com-08-s(f)70

  日期：——

  N(2)-Isobutyroyl-5,6,7,8-tetrahydropterins (6-10) have been coupled with nicotinic acid to form the N(5)-nicotinoyl derivatives 11-15. Quaternization at the pyridine moiety led to 19-31 which can be reduced to the corresponding N-substituted 1,4-dihydropyridine dertivatives 35-39. Partial deacylation of the isobutyroyl group afforded the various types of terahydropterins 16-18, 32-34 and 40-42. The newly synthesized 5,6,7,8-tetrahydropterin derivatives have been characterized by pK(a)-determinations, UV- and NMR-spectra as well as elemental analyses.