6-acetyl-1,3,7-trimethylpyrido<2,3-d>pyrimidine-2,4(1H,3H)-dione | 99319-17-2

• 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: 6-acetyl-1,3,7-trimethylpyrido<2,3-d>pyrimidine-2,4(1H,3H)-dione
• 英文别名: 6-acetyl-1,3,7-trimethyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-2,4-dione；6-acetyl-1,3,7-trimethyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione；6-acetyl-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione；6-acetyl-1,3,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
• CAS: 99319-17-2
• 化学式: C₁₂H₁₃N₃O₃
• mdl: MFCD06610443
• 分子量: 247.254
• InChiKey: MEIVSIBCVKDORK-UHFFFAOYSA-N

物化性质

• 熔点：
  151 °C(Solv: ethanol (64-17-5))
• 沸点：
  452.0±55.0 °C(Predicted)
• 密度：
  1.285±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  70.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-dimethylaminomethylene-6-imino-1,3-dimethyluracil hydrochloride 、 乙酰丙酮 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以42%的产率得到6-acetyl-1,3,7-trimethylpyrido<2,3-d>pyrimidine-2,4(1H,3H)-dione
  参考文献：
  名称：

  Hirota, Kosaku; Kitade, Yukio; Senda, Shigeo, Journal of Heterocyclic Chemistry, 1985, vol. 22, p. 345 - 347

  摘要：

  DOI：

文献信息

• Dihydropyrido[2,3-d]pyrimidines as a new class of antileishmanial agents
  作者：Anu Agarwal、Ramesh、Ashutosh、Neena Goyal、Prem M.S. Chauhan、Suman Gupta

  DOI：10.1016/j.bmc.2005.07.043

  日期：2005.12

  A series of dihydropyrido[2,3-d]pyrimidines have been synthesized and screened for its in vitro antileishmanial activity profile in promastigote and amastigote models. Compounds 2a-2l have shown 83-100% inhibition against promastigotes and 79-100% inhibition against amastigotes at a concentration of 50 mu g/mL. (c) 2005 Elsevier Ltd. All rights reserved.
• First Report on the Abnormal Dearylation/Alkylation Reaction in One‐Pot Hantzch Synthesis with 6‐Amino‐1,3‐Dimethyl Uracil
  作者：Anu Agarwal、Prem M. S. Chauhan

  DOI：10.1081/scc-200043171

  日期：2004.1

  First report on the abnormal dearylation/dealkylation reaction occurring during dehydrogenation in one-pot, three-component condensation of dihydropyrido[2,3-d]pyrimidines.
• El-Ahl, Abdel Aziz S.; El Bialy, Serry A.A.; Ismail, Mohamed A., Heterocycles, 2001, vol. 55, # 7, p. 1315 - 1321
  作者：El-Ahl, Abdel Aziz S.、El Bialy, Serry A.A.、Ismail, Mohamed A.

  DOI：——

  日期：——
• HIROTA, KOSAKU;KITADE, YUKIO;SENDA, SHIGEO, J. HETEROCYCL. CHEM., 1985, 22, N 2, 345-347
  作者：HIROTA, KOSAKU、KITADE, YUKIO、SENDA, SHIGEO

  DOI：——

  日期：——