3-(4-chlorobenzoyl)-6-bromo-2H-chromene-2-thione | 1228956-83-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(4-chlorobenzoyl)-6-bromo-2H-chromene-2-thione
• 英文别名: 3-(chlorobenzoyl)-6-bromo-2H-chromene-2-thione；(6-Bromo-2-sulfanylidenechromen-3-yl)-(4-chlorophenyl)methanone
• CAS: 1228956-83-9
• 化学式: C₁₆H₈BrClO₂S
• 分子量: 379.661
• InChiKey: YQQVGKZLCWRFAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 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：
  58.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  methyl 3-(4-chlorophenyl)-3-oxopropanedithioate 、 5-溴水杨醛 在 尿素 、 氯化(1-丁基-3-甲基咪唑) 作用下， 以74 %的产率得到3-(4-chlorobenzoyl)-6-bromo-2H-chromene-2-thione
  参考文献：
  名称：

  中性离子液体中2H-色烯-2-硫酮绿色高效合成的无催化剂路线

  摘要：

  通过使用 1-丁基-3-甲基咪唑氯化物、[Bmim]Cl 作为中性溶剂，通过各种水杨醛和β-氧代二硫酯的环化缩合反应，实现2H-色烯-2-硫酮的无金属和无催化剂、环境友好且简便的合成途径介质首次被证明。

  DOI：

  10.1016/j.tetlet.2022.154271

文献信息

• Novel 3-alkanoyl/aroyl/heteroaroyl-2H-chromene-2-thiones: Synthesis and evaluation of their antioxidant activities
  作者：Okram Mukherjee Singh、Nepram Sushuma Devi、Dhanaraj Singh Thokchom、Gurumayum Jitendra Sharma

  DOI：10.1016/j.ejmech.2010.01.070

  日期：2010.6

  A facile, convenient and high yielding synthesis of a combinatorial library of 3-alkanoyl/aroyl/heteroaroyl-2H-chromene-2-thiones has been developed by the condensation of easily accessible beta-oxodithioesters and salicylaldehyde/substituted 2-hydroxybenzaldehydes under solvent-free conditions. The assessment of radical scavenging capacity of the compounds towards the stable free radical 2,2-diphenyl-1-picrylhydrazyl (DPPH) was measured and these compounds were found to scavenge DPPH free radical efficiently. Five selected compounds were able to protect curcumin from the attack of sulfur free radical generated by radiolysis of glutathione (GSH). The newly synthesized compounds exhibited profound antioxidant activities Five of them rendered comparatively high antioxidant capacity.
• Devi, Nepram Sushuma; Singh, Thokchom Prasanta; Khumanthem, Nonibala, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2013, vol. 52, # 9, p. 1224 - 1231
  作者：Devi, Nepram Sushuma、Singh, Thokchom Prasanta、Khumanthem, Nonibala、Singh, Okram Mukherjee

  DOI：——

  日期：——