1-benzylpyrido<2,3-d>pyrimidine-2,4(1H,3H)-dione | 51702-95-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 1-benzylpyrido<2,3-d>pyrimidine-2,4(1H,3H)-dione
• 英文别名: 1-Benzylpyrido[2,3-d]pyrimidine-2,4-dione
• CAS: 51702-95-5
• 化学式: C₁₄H₁₁N₃O₂
• 分子量: 253.26
• InChiKey: YXMUIYZWUMBJCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  62.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-Benzylamino-3-pyridinecarboxamide 生成 1-benzylpyrido<2,3-d>pyrimidine-2,4(1H,3H)-dione
  参考文献：
  名称：

  NODA, KANDZI;NAKAGAVA, NOBORU;KIMURA, TOSIXARU;YAMADZAKI, SEDZO;IDEH, XIR+

  摘要：

  DOI：

文献信息

• Improved procedures for the syntheses of pyrido- and pyrrolo(2,3-d) pyrimidines, and ribosides thereof.
  作者：Tsuneo ITOH、Raphael G. MELIK-OHANJANIAN、Ichiro ISHIKAWA、Norio KAWAHARA、Yoshihisa MIZUNO、Yoshio HONMA、Motoo HOZUMI、Haruo OGURA

  DOI：10.1248/cpb.37.3184

  日期：——

  Pyrido[2, 3-d]pyrimidines were obtained by treatment of 6-allylaminouracils with PdCl2 at 60 °C, under which conditions the yields of the products were improved to a considerable extent as compared with our previously reported reaction. Pyrrolo[2, 3-d]pyrimidines were prepared under the above conditions from 6-(N-allyl-N-methylamino)uracils which were substituted with a methyl group at 6-NH of uracil. In addition, pyrido- and pyrrolo[2, 3-d]pyrimidine nucleosides were prepared from 6-(substituted allyl- or N-allyl-N-methylamino)uridines by adaptation of the above method. That is, the presence or absence of a substituent on the 6-amino group influences the size of ring formed. We proposed plausible pathways to explain why products having different ring sizes were formed.

  Pyrido[2, 3-d]嘧啶类化合物是通过将6-烯丙基氨基尿嘧啶与PdCl2在60°C下反应得到的，在这种条件下，产品的产率与我们之前报告的反应相比显著提高。根据上述条件，从6-(N-烯丙基-N-甲基氨基)尿嘧啶（其在尿嘧啶的6-NH位点上有甲基取代）制备了吡咯[2, 3-d]嘧啶类化合物。此外，通过调整上述方法，从6-(取代的烯丙基或N-烯丙基-N-甲基氨基)尿苷中制备了吡啶和吡咯[2, 3-d]嘧啶类核苷。也就是说，6-氨基基团上取代基的有无影响形成的环的大小。我们提出了合理的路径来解释为什么产生了不同环大小的产品。
• ITOH, TSUNEO;MELIK-OHANJANIAN, RAPHAEL G.;ISHIKAWA, ICHIRO;KAWAHARA, NORI+, CHEM. AND PHARM. BULL., 37,(1989) N2, C. 3184-3190
  作者：ITOH, TSUNEO、MELIK-OHANJANIAN, RAPHAEL G.、ISHIKAWA, ICHIRO、KAWAHARA, NORI+

  DOI：——

  日期：——