N-<3,4-dihydro-2-methylthio-4-oxoquinazoline-3-yl>carbaminic acid ethyl ester

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: N-<3,4-dihydro-2-methylthio-4-oxoquinazoline-3-yl>carbaminic acid ethyl ester
• 英文别名: ethyl N-(2-methylsulfanyl-4-oxoquinazolin-3-yl)carbamate
• 化学式: C₁₂H₁₃N₃O₃S
• 分子量: 279.32
• InChiKey: RKHQENMXCFCOHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  96.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-hydrazine carboxylic acid ethyl ester 、 2-氨基苯甲酸乙酯 在 溶剂黄146 作用下， 反应 4.0h， 以70%的产率得到N-<3,4-dihydro-2-methylthio-4-oxoquinazoline-3-yl>carbaminic acid ethyl ester
  参考文献：
  名称：

  N-[bis(methylthio)methylene]amino Ester (BMMA): Novel Reagents for Annelation of Pyrimidine Moieties

  摘要：

  New reagents for heterocyclic annelations containing a N-[bis(methylthio)methylene]amino moiety (=BMMA) were developed and studied regarding their scope and limitations: one-pot reaction with (hetero)aromatic ortho-aminocarbonyl-type model compounds (''carbonyl'' = COOEt, COMe and CN) to a series of new benzo- or thieno-condensed pyrimidines, pyrrolo[1,2-c]pyrimidines, imidazo[1,2-c]pyrimidines and 1,2,4-triazolo[1,5-c]pyrimidines, depending on the reagent used [(MeS)(2)C=N-R with R = CH2-COOEt, CH(2)CH(2)COOEt, NH-COOEt].

  DOI：

  10.3987/com-94-s86

文献信息

• Sauter Fritz, Froehlich Johannes, Blasl Karin, Gewald Karl, Heterocycles, 40 (1995) N 2, S 851-866
  作者：Sauter Fritz, Froehlich Johannes, Blasl Karin, Gewald Karl

  DOI：——

  日期：——
• N-[bis(methylthio)methylene]amino Ester (BMMA): Novel Reagents for Annelation of Pyrimidine Moieties
  作者：Fritz Sauter、Johannes Fröhlich、Krain Blasl、Karl Gewald

  DOI：10.3987/com-94-s86

  日期：——

  New reagents for heterocyclic annelations containing a N-[bis(methylthio)methylene]amino moiety (=BMMA) were developed and studied regarding their scope and limitations: one-pot reaction with (hetero)aromatic ortho-aminocarbonyl-type model compounds (''carbonyl'' = COOEt, COMe and CN) to a series of new benzo- or thieno-condensed pyrimidines, pyrrolo[1,2-c]pyrimidines, imidazo[1,2-c]pyrimidines and 1,2,4-triazolo[1,5-c]pyrimidines, depending on the reagent used [(MeS)(2)C=N-R with R = CH2-COOEt, CH(2)CH(2)COOEt, NH-COOEt].