6-p-Chloranilino-4-hydroxy-2-phenylpyrimidin | 31595-75-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-p-Chloranilino-4-hydroxy-2-phenylpyrimidin
• 英文别名: 6-(4-chloro-anilino)-2-phenyl-3H-pyrimidin-4-one；4-(4-chloroanilino)-2-phenyl-1H-pyrimidin-6-one
• CAS: 31595-75-2
• 化学式: C₁₆H₁₂ClN₃O
• 分子量: 297.744
• InChiKey: HWXUROHYJVCAIG-UHFFFAOYSA-N

物化性质

• 沸点：
  452.1±55.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  53.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-hydroxymethylene-17β-hydroxy-5α-androstan-3-one 、 6-p-Chloranilino-4-hydroxy-2-phenylpyrimidin 在 对甲苯磺酸 作用下， 以 二苯醚 为溶剂， 以43%的产率得到(1S,14S,15S,18S,19S,22S,23R)-4-(4-chlorophenyl)-19-hydroxy-14,18-dimethyl-7-phenyl-4,6,8-triazahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosa-3(12),5,7,10-tetraen-9-one
  参考文献：
  名称：

  New Synthesis and Biologically Active Molecular Design of Deazapteridine-Steroid Hybrid Compounds

  摘要：

  This paper describes a facile and general synthesis of a new class of the hybrid compounds (4, 5 and 16), possessing 5-deazapteridine and steroid in the same ring system, by condensation of 6-(monosubstituted amino)uracils (9) or 6-(monosubstituted amino)-2-phenylpyrimidin-4(3H)-ones (14) with 2-hydroxymethyleneandrostanolone (10) or 2-hydroxymethylenetestosterone (15) under heating in the presence of p-toluenesulfonic acid monohydrate and their potential unti-coccidiosis activities.

  DOI：

  10.3987/com-03-9925

文献信息

• YONEDA F.; MATSUMOTO S.; SAKUMA Y.; FUKAZAWA S., J. CHEM. SOC. PERKIN TRANS. PART 1 <JCPK-BH> 1975, NO 19, 1907-1909
  作者：YONEDA F.、 MATSUMOTO S.、 SAKUMA Y.、 FUKAZAWA S.

  DOI：——

  日期：——
• New Synthesis and Biologically Active Molecular Design of Deazapteridine-Steroid Hybrid Compounds
  作者：Tomohisa Nagamatsu、Hiroki Yamada、Kazuyuki Shiromoto

  DOI：10.3987/com-03-9925

  日期：——

  This paper describes a facile and general synthesis of a new class of the hybrid compounds (4, 5 and 16), possessing 5-deazapteridine and steroid in the same ring system, by condensation of 6-(monosubstituted amino)uracils (9) or 6-(monosubstituted amino)-2-phenylpyrimidin-4(3H)-ones (14) with 2-hydroxymethyleneandrostanolone (10) or 2-hydroxymethylenetestosterone (15) under heating in the presence of p-toluenesulfonic acid monohydrate and their potential unti-coccidiosis activities.