7-Amino-5-(4-methoxy-phenyl)-4-oxo-2-thioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile | 112434-53-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃嘧啶类
• 英文名称: 7-Amino-5-(4-methoxy-phenyl)-4-oxo-2-thioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
• 英文别名: 7-Amino-5-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
• CAS: 112434-53-4
• 化学式: C₁₅H₁₂N₄O₃S
• 分子量: 328.351
• InChiKey: YSORHJZAUSFWTO-UHFFFAOYSA-N

物化性质

• 熔点：
  250 °C(Solv: N,N-dimethylformamide (68-12-2); ethanol (64-17-5))
• 密度：
  1.53±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.66
• 重原子数：
  23.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  116.92
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  4,6-二羟基-2-巯基嘧啶 、 (4-甲氧基苄烯)丙二腈 在 哌啶 作用下， 以 乙醇 为溶剂， 以45%的产率得到7-Amino-5-(4-methoxy-phenyl)-4-oxo-2-thioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile
  参考文献：
  名称：

  Ibrahim, Mohamed Kamal Ahmed; El-Moghayar, Mohamed Rifaat Hamza; Sharaf, Mohi Ahmed Faik, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1987, vol. 26, # 1-12, p. 216 - 219

  摘要：

  DOI：

文献信息

• Nano-sawdust-OSO3H as a new, cheap and effective nanocatalyst for one-pot synthesis of pyrano[2,3-d]pyrimidines
  作者：B. Sadeghi、M. Bouslik、M. R. Shishehbore

  DOI：10.1007/s13738-015-0655-3

  日期：2015.10

  An atom-efficient, three-component synthetic methodology has been developed for the preparation of biologically important pyrano[2,3-d]pyrimidines using nano-sawdust-OSO3H as a new catalyst. The reaction involves the use of barbituric acid or thiobarbituric acid, malononitrile and aldehydes. A wide range of aldehydes is compatible in this reaction, producing excellent yields in short time. The morphology

  已经开发了一种原子有效的三组分合成方法，用于使用纳米锯末-OSO 3 H作为新催化剂制备生物学上重要的吡喃并[2,3- d ]嘧啶。该反应涉及使用巴比妥酸或硫代巴比妥酸，丙二腈和醛。该反应可与多种醛相容，从而在短时间内产生出色的收率。使用扫描电子显微镜（SEM）观察了纳米催化剂（纳米锯末-OSO 3 H）的形态。通过热分析技术（TGA / DTG）研究了催化剂的分解步骤和热稳定性。木屑OSO 3通过能量色散X射线能谱（EDX）方法研究了H表面，以找出化学成分。另外，已经进行了催化剂的振动光谱分析（FT-IR）。
• Green cellulose-based nanocomposite catalyst: Design and facile performance in aqueous synthesis of pyranopyrimidines and pyrazolopyranopyrimidines
  作者：Ali Maleki、Abbas Ali Jafari、Somayeh Yousefi

  DOI：10.1016/j.carbpol.2017.08.019

  日期：2017.11

  A cellulose-based nanobiocomposite decorated with Fe3O4 nanoparticles was prepared, characterized and applied as an easily recoverable and reusable green nanocatalyst in the synthesis of pyrano[2,3d]pyrimidine derivatives in water at room temperature. The characterization was performed by using a variety of conventional analytical instruments such as Fourier transform infrared spectra (FT-IR), field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), energy dispersive X-ray (EDX), vibrating sample magnetometer (VSM), thermal analysis (TGA/DTA) and inductively coupled plasma atomic emission spectroscopy (ICP-AES) analyses. Two series of pyranopyrimidine and pyrazolopyranopyrimidines derivatives were synthesized by using the present cellulose-based nanocomposite. This protocol has valuable features like high yield of the products, short reaction times, mild conditions and easy work-up procedure. In addition, the catalyst can be prepared easily with cheap and green starting materials. (C) 2017 Elsevier Ltd. All rights reserved.
• IBRAHIM, MOHAMED KAMAL AHMED;EL-MOGHAYAR, MOHAMED RIFAAT HAMZA;SHARAF, MO+, INDIAN J. CHEM., 26,(1987) N 3, 216-219
  作者：IBRAHIM, MOHAMED KAMAL AHMED、EL-MOGHAYAR, MOHAMED RIFAAT HAMZA、SHARAF, MO+

  DOI：——

  日期：——
• An efficient synthesis of pyranopyrimidine derivatives by using glyoxylic acid:L-Proline deep eutectic solvent as a novel designer reaction promoter
  作者：Karande, Vishram、Mohire, Priyanka、Deshmukh, Shubham、Patravale, Ajinkya、Desai, Vikram、Chandam, Dattatray、Sankpal, Sandeep、Deshmukh, Madhukar

  DOI：10.56042/ijc.v62i4.428

  日期：——