4-[4-ethoxy-N-(furan-2-ylmethyl)anilino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbaldehyde | 114142-95-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-[4-ethoxy-N-(furan-2-ylmethyl)anilino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbaldehyde
• CAS: 114142-95-9
• 化学式: C₂₀H₂₁N₃O₅
• 分子量: 383.404
• InChiKey: RCNOBHGUBWAXPY-UHFFFAOYSA-N

物化性质

• 沸点：
  518.3±60.0 °C(predicted)
• 密度：
  1.345±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  83.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-[4-ethoxy-N-(furan-2-ylmethyl)anilino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbaldehyde 在 lead(IV) acetate 、 sodium acetate 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 0.5h， 生成 3-(4-Ethoxyphenyl)-5,7-dimethyl-12-phenyl-16-oxa-3,5,7,11,12-pentazatetracyclo[8.6.0.01,13.04,9]hexadeca-4(9),10,14-triene-6,8-dione
  参考文献：
  名称：

  Studies on pyrimidine-annelated heterocycles: synthesis of novel pyrazolo[3′,4′:4,5]pyrido[2,3-d]pyrimidines by intramolecular 1,3-dipolar cycloadditions

  摘要：

  Suitably functionalised 1,3-substituted 6-chloro-1,2,3,4-tetrahydro-2,4-dioxopyrimidine-5-carbaldehydes 3a-1 cyclise intramolecularly to yield novel furo- and thieno-[2 '',3 '':4',5']pyrazolo[3',4':4,5]pyrido-[2,3-d]pyrimidines 8a-1 in fair to good yields together with the pyrazolopyrimidines 7 as side products. Remarkably, this synthesis not only left the pyrimidine nucleus unaffected but also gave no dimer formation.

  DOI：

  10.1039/p19960001999
• 作为产物：
  描述：

  N-(2-furfuryl)-p-ethoxyaniline 、 6-氯-5-甲酰基-1,3-二甲基尿嘧啶 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以30%的产率得到4-[4-ethoxy-N-(furan-2-ylmethyl)anilino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbaldehyde
  参考文献：
  名称：

  Prajapati, Dipak; Bhuyan, Pulakjyoti; Sandhu, Jagir Singh, Journal of the Chemical Society. Perkin transactions I, 1988, p. 607 - 610

  摘要：

  DOI：

文献信息

• Prajapati, Dipak; Bhuyan, Pulakjyoti; Sandhu, Jagir Singh, Journal of the Chemical Society. Perkin transactions I, 1988, p. 607 - 610
  作者：Prajapati, Dipak、Bhuyan, Pulakjyoti、Sandhu, Jagir Singh

  DOI：——

  日期：——
• PRAJAPATI, DIPAK;BHUYAN, PULAKJOTI;SANDHU, JAGIR SINGH, J. CHEM. SOC. PERKIN TRANS., 1,(1988) N 3, 607-610
  作者：PRAJAPATI, DIPAK、BHUYAN, PULAKJOTI、SANDHU, JAGIR SINGH

  DOI：——

  日期：——
• Studies on pyrimidine-annelated heterocycles: synthesis of novel pyrazolo[3′,4′:4,5]pyrido[2,3-d]pyrimidines by intramolecular 1,3-dipolar cycloadditions
  作者：Bipul Baruah、Dipak Prajapati、Jagir S. Sandhu、Anil C. Ghosh

  DOI：10.1039/p19960001999

  日期：——

  Suitably functionalised 1,3-substituted 6-chloro-1,2,3,4-tetrahydro-2,4-dioxopyrimidine-5-carbaldehydes 3a-1 cyclise intramolecularly to yield novel furo- and thieno-[2 '',3 '':4',5']pyrazolo[3',4':4,5]pyrido-[2,3-d]pyrimidines 8a-1 in fair to good yields together with the pyrazolopyrimidines 7 as side products. Remarkably, this synthesis not only left the pyrimidine nucleus unaffected but also gave no dimer formation.