5-(2,4-dichlorophenyl)-9,10-dihydropyrido[2,3-d:6,5-d′]dipyrimidine-2,4,6,8 (1H,3H,5H,7H)- tetraone | 1374787-95-7

• 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: 5-(2,4-dichlorophenyl)-9,10-dihydropyrido[2,3-d:6,5-d′]dipyrimidine-2,4,6,8 (1H,3H,5H,7H)- tetraone
• CAS: 1374787-95-7
• 化学式: C₁₅H₉Cl₂N₅O₄
• 分子量: 394.174
• InChiKey: VJGCYYAJWDJXLM-UHFFFAOYSA-N

物化性质

• 密度：
  1.82±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.98
• 重原子数：
  26.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  143.47
• 氢给体数：
  5.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  巴比妥酸 、 2,4-二氯苯甲醛 在 ammonium acetate 作用下， 以 乙醇 、 水 为溶剂， 以72%的产率得到5-(2,4-dichlorophenyl)-9,10-dihydropyrido[2,3-d:6,5-d′]dipyrimidine-2,4,6,8 (1H,3H,5H,7H)- tetraone
  参考文献：
  名称：

  Catalyst-free synthesis of dihydropyridine from barbituric acid in water

  摘要：

  已开发一种操作简单、原子经济性强且环保的程序，通过在无催化剂条件下，将巴比妥酸、醛和乙酸铵在水中简单冷凝合成二氢吡啶衍生物。仅通过过滤和用热水及乙醇洗涤即可获得优良的产率和纯度。

  DOI：

  10.1007/s11164-012-0543-8

文献信息

• An efficient, one-pot synthesis of pyrido[2,3-d:6,5-d′]dipyrimidines using SBA-15-supported sulfonic acid nanocatalyst under solvent-free conditions
  作者：Shahnaz Rostamizadeh、Leili Tahershamsi、Negar Zekri

  DOI：10.1007/s13738-015-0604-1

  日期：2015.8

  SBA-15-SO3H with a high surface area and high acid content was readily synthesized, characterized, and effectively used in the synthesis of some new and known pyrido[2,3-d:6,5-d′]dipyrimidine derivatives by condensation reaction of 6-aminouracil and different aldehydes under solvent-free conditions. The catalyst was reused for 6 runs without significant loss of its activity. Short reaction times, high

  具有高表面积和高酸含量的酸性纳米催化剂SBA-15-SO 3 H易于合成，表征并有效地用于合成一些新的和已知的吡啶基[2,3- d：6,5- d '在没有溶剂的条件下，通过6-氨基尿嘧啶与不同醛的缩合反应生成] dipyrimidine衍生物。该催化剂可重复使用6次，而不会显着降低其活性。反应时间短，产物的产率高，无溶剂条件以及使用坚固且可重复使用的催化剂是本方法的优点。
• Synthesis of pyrido[2,3‐ <i>d</i> :5,6‐ <i>d</i> ′]dipyrimidines using CuFe ₂ O ₄ /KCC‐1/PMA as a novel and efficient nanocatalyst under solvent‐free conditions
  作者：Seyyed Hojjat Sadeghi、Morteza Yaghoobi、Mohammad Ali Ghasemzadeh

  DOI：10.1002/aoc.6771

  日期：2022.8

  In this research, the synthesis of pyrido[2,3-d:5,6-d′]dipyrimidines by CuFe2O4/KCC-1/PMA magnetic nanoparticles was reported. Synthesis of pyrido[2,3-d:5,6-d′]dipyrimidines was performed under solvent-free conditions with good to excellent yields. The prepared nanocatalyst was synthesized in three steps and also was characterized by Fourier transform infrared (FT-IR) spectroscopy, scanning electron

  本研究报道了利用CuFe 2 O 4 /KCC-1/PMA磁性纳米粒子合成吡啶并[2,3- d :5,6 - d ']二嘧啶。吡啶并[2,3 - d :5,6 - d ']二嘧啶的合成是在无溶剂条件下进行的，收率良好。制备的纳米催化剂分三步合成，并通过傅里叶变换红外（FT-IR）光谱、扫描电子显微镜（SEM）、透射电子显微镜（TEM）、能量色散X射线光谱（EDX）、X-射线衍射 (XRD)、振动样品磁强计 (VSM) 和 N 2吸附-解吸测量（Brunauer-Emmett-Teller [BET]）分析。此外，CuFe 2 O 4 /KCC-1/PMA的可重复使用性研究表明，回收的催化剂可以多次使用。
• A green synthesis of pyrimido[4,5-<i>b</i>]quinolines and pyrido[2,3-<i>d</i>]pyrimidines <i>via</i> a mechanochemical approach
  作者：Himanshu Kumar Singh、Arsala Kamal、Suresh Kumar Maury、Ambuj Kumar Kushwaha、Vandana Srivastava、Sundaram Singh

  DOI：10.1039/d3ob00626c

  日期：——

  for the synthesis of pyrimido[4,5-b]quinolines and pyrido[2,3-d]pyrimidines via a multicomponent reaction of 1,3 diketones (dimedone, barbituric acid, and Meldrum's acid), 6-aminouracil and aromatic aldehyde, through mechanochemical synthesis using a ball-mill. This transformation involves a one pot, catalyst-free, and solvent-free pathway to develop the desired products under mild reaction conditions

  通过1,3二酮（二甲酮、巴比妥酸和Meldrum 's酸），6-氨基尿嘧啶和芳香醛，通过使用球磨机的机械化学合成。这种转化涉及一种单锅、无催化剂和无溶剂的途径，可以在温和的反应条件下开发所需的产品。
• One‐pot synthesis of pyrido[2,3‐d:5,6‐d′]dipyrimidines using CoFe ₂ O ₄ @SiO ₂ ‐PA‐CC‐guanidine‐SA magnetic nanoparticles in water
  作者：Hedieh Rostami、Lotfi Shiri

  DOI：10.1002/aoc.6293

  日期：2021.10

  In this study, the synthesis of pyrido[2,3‐d:5,6‐d′]dipyrimidines using CoFe2O4@SiO2‐PA‐CC‐guanidine‐SA magnetic nanoparticles with excellent yields has been reported. Pyrido[2,3‐d:5,6‐d′]dipyrimidines were synthesized from the four‐component reaction of barbituric acid derivatives, benzaldehyde derivatives and ammonium acetate in water at room temperature. The synthesized catalyst was identified using Fourier‐transform infrared spectroscopy (FT‐IR), scanning electron microscopy (SEM), energy‐dispersive X‐ray spectroscopy (EDX), X‐ray powder diffraction (XRD), thermogravimetric analysis (TGA) and vibrating sample magnetometer (VSM) techniques.