2-氨基吡啶并[2,3-d]嘧啶-4(1H)-酮 | 7255-87-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 中文名称: 2-氨基吡啶并[2,3-d]嘧啶-4(1H)-酮
• 英文名称: 2-amino-3H-pyrido[2,3-d]pyrimidin-4-one
• 英文别名: 2-aminopyrido[2,3-d]pyrimidin-4-one；2-Amino-3H-pyrido[2,3-d]pyrimidin-4-on；Pyrido(2,3-d)pyrimidine, 2-amino-4-hydroxy-
• CAS: 7255-87-0
• 化学式: C₇H₆N₄O
• mdl: MFCD18803549
• 分子量: 162.151
• InChiKey: JXYNHGDZJFQCAX-UHFFFAOYSA-N

物化性质

• 熔点：
  >360 °C
• 密度：
  1.68±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-氨基吡啶并[2,3-d]嘧啶-4(1H)-酮 在 sodium hydride 、 氯甲酸苄酯 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 2-[bis(trimethylsilylethynyl)methylamino]-3-(2,2-dimethylpropanoyloxymethyl)pyrido[2,3-d]pyrimidin-4-one
  参考文献：
  名称：

  某些杂环甲am与三甲基甲硅烷基乙炔基锂的反应

  摘要：

  DOI：

  10.1023/a:1017999117482
• 作为产物：
  描述：

  2-氨基烟酸 在 sodium hydroxide 、 乙醇 、 氨 、 三氯氧磷 作用下， 生成 2-氨基吡啶并[2,3-d]嘧啶-4(1H)-酮
  参考文献：
  名称：

  Studies on Condensed Pyrimidine Systems. XII. Synthesis of Some 4- and 2,4-Substituted Pyrido[2,3-d]pyrimidines

  摘要：

  DOI：

  10.1021/ja01613a069

文献信息

• Hydrazide-Based Quadruply Hydrogen-Bonded Heterodimers. Structure, Assembling Selectivity, and Supramolecular Substitution
  作者：Xin Zhao、Xiao-Zhong Wang、Xi-Kui Jiang、Ying-Qi Chen、Zhan-Ting Li、Guang-Ju Chen

  DOI：10.1021/ja037312x

  日期：2003.12.1

  sequences. Hydrazide derivatives 1, which has two intramolecular S(6) RO.H-N hydrogen bonds, and 2 complex to afford two fastly exchanging isomeric heterodimers 1.2 and 1.2' in chloroform, as a result of two different conformational arrangements of 2. An average binding constant K(assoc) of 4.7 x 10(4) M(-)(1) was determined for heterodimer 1.2 and 1.2' by (1)H NMR titration of 1 with changing 2 in chloroform-d

  本文描述了一类新的高度稳定的基于酰肼的四重氢键异二聚体的合成、自组装和表征。所有酰肼衍生的异二聚体都具有互补的 ADDA-DAAD 氢键序列。由于 2 的两种不同构象排列，酰肼衍生物 1 具有两个分子内 S(6) RO.HN 氢键和 2 复合物，可在氯仿中提供两个快速交换的异构异二聚体 1.2 和 1.2'。 平均结合常数K(assoc) 的 4.7 x 10(4) M(-)(1) 被确定为异二聚体 1.2 和 1.2' 通过 (1) H NMR 滴定 1 与改变 2 在氯仿-d。相比之下，1 结合 11 和 12，两者都引入了两个分子内 S(6) 氢键，专门提供异二聚体 1.11 和 1.12，K(assoc) 值分别为 1.8 x 10(4) 和 5.0 x 10(2) M(-)(1)。含氟 19 具有与 1 相同的酰肼骨架但有两个分子内 S(6) FH-N 氢键，也可以与 2、11 和
• Herbicidally effective sulfonylureas
  申请人：Celamerck GmbH & Co. KG.

  公开号：US04826528A1

  公开（公告）日：1989-05-02

  This invention relates to sulfonylureas of the formula ##STR1## These compounds are useful in killing weeds and in regulating the growth of cultivated plants.

  本发明涉及化合物的磺酰脲公式为：##STR1## 这些化合物在杀死杂草和调节栽培植物生长方面很有用。
• Pyridoprimidine derivatives as antineoplastic agents
  申请人：ELI LILLY AND COMPANY

  公开号：EP0511792A2

  公开（公告）日：1992-11-04

  2-Amino-4-hydroxypyrido[2,3-d]pyrimidines, having a 6-substituted ethyl or ethenyl group, are useful antineoplastic agents.

  具有 6-取代乙基或乙烯基的 2-氨基-4-羟基吡啶并[2,3-d]嘧啶是有用的抗肿瘤药物。
• Bis-ureidodeazapterin (Bis-DeAP) as a general route to supramolecular star polymers
  作者：Eric M. Todd、Steven C. Zimmerman

  DOI：10.1016/j.tet.2008.05.076

  日期：2008.9

  Supramolecular recognition unit Bis-DeAP, 1, containing two high affinity hydrogen-bonding acceptor-acceptor-donor-donor (AADD) arrays was designed to self-assemble into cyclic assemblies. It was prepared through a highly scalable synthesis and was further functionalized with 2-bromo-2-methylpropanoyl bromide and used to initiate the polymerization of methylmethacrylate (MMA). Bis-DeAPPMMA polymers quantitatively self-assembled into star polymers in toluene. In DMF Bis-DeAP-PMMA forms a mixture of star polymers and unassembled polymers. Bis-DeAP was also functionalized with polyethylene glycol (PEG) polymers. The Bis-DeAP-PEG polymers formed star polymers in DMF; however, higher molecular weight polymeric assembles that varied with concentration were observed in water. Mixing studies in toluene indicated that the self-assembled star polymers are kinetically stable and resist mixing even at elevated temperatures. In DMF, kinetically controlled structures are initially observed, however, mixing occurs at a faster rate and assembled star polymers show a decrease in polydispersity index (PDI) over time. In addition, Bis-DeAP functionalized PS and PMMA were mixed in DMF to generate a star copolymer through self-assembly. (C) 2008 Elsevier Ltd. All rights reserved.
• Ptrimides, XXXII: Synthesis and Properties of Pyrido[2,3-d]pyrimidine-2,4-diones (5-Deazalumazines)
  作者：Wolfgang Pfleiderer、Mathias Pfleiderer、Wolfgang Pfleiderer

  DOI：10.3987/com-91-s100

  日期：——