4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic acid | 22458-53-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic acid
• CAS: 22458-53-3
• 化学式: C₁₅H₁₀N₂O₃S
• 分子量: 298.322
• InChiKey: XTRWYCKULXAWGW-UHFFFAOYSA-N

物化性质

• 熔点：
  230 °C
• 沸点：
  536.7±52.0 °C(Predicted)
• 密度：
  1.56±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-bromo-3-methyl-1-phenylpyrazol-5-one 、 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic acid 以50%的产率得到
  参考文献：
  名称：

  DAS N. B.; MITTRA A. S., J. INDIAN CHEM. SOC., 1979, 56, NO 4, 398-400

  摘要：

  DOI：
• 作为产物：
  描述：

  2-异硫氰基苯甲酸甲酯 、 对硝基苯甲酸 以35%的产率得到4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoic acid
  参考文献：
  名称：

  Efficient solid-phase synthesis of quinazoline-2-thioxo-4-ones with SynPhase™ lanterns

  摘要：

  We wish to report the efficient solid-phase synthesis of diverse quinazoline-2-thioxo-4-ones using SynPhase((TM)) lanterns as solid supports. Although target compounds were obtained only with low purity using Wang resin, lanterns derivatized with long chain hydroxymethyl phenoxy linkers successfully gave products with high purity. Furthermore, subsequent re actions of quinazoline-2-thioxo-4-ones with various types of halides gave S-alkylated or S-arylated products with high purity, showing the usefulness of this chemistry for synthesizing diverse quinazoline-2-thioxo-4-one libraries. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)01442-8

文献信息

• El-Hiti, Gamal A.; Abdel-Megeed, Mohamed F.; Zied, Tarek M. M., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2002, vol. 41, # 7, p. 1519 - 1522
  作者：El-Hiti, Gamal A.、Abdel-Megeed, Mohamed F.、Zied, Tarek M. M.

  DOI：——

  日期：——
• Efficient solid-phase synthesis of quinazoline-2-thioxo-4-ones with SynPhase™ lanterns
  作者：Shingo Makino、Nobuyasu Suzuki、Eiji Nakanishi、Takashi Tsuji

  DOI：10.1016/s0040-4039(00)01442-8

  日期：2000.10

  We wish to report the efficient solid-phase synthesis of diverse quinazoline-2-thioxo-4-ones using SynPhase((TM)) lanterns as solid supports. Although target compounds were obtained only with low purity using Wang resin, lanterns derivatized with long chain hydroxymethyl phenoxy linkers successfully gave products with high purity. Furthermore, subsequent re actions of quinazoline-2-thioxo-4-ones with various types of halides gave S-alkylated or S-arylated products with high purity, showing the usefulness of this chemistry for synthesizing diverse quinazoline-2-thioxo-4-one libraries. (C) 2000 Elsevier Science Ltd. All rights reserved.
• DAS N. B.; MITTRA A. S., J. INDIAN CHEM. SOC., 1979, 56, NO 4, 398-400
  作者：DAS N. B.、 MITTRA A. S.

  DOI：——

  日期：——