CAS: 81810-66-4; 2-Cinnamoyl-3-Methylquinoxaline 1,4-Dioxide

• 英文名称2-Cinnamoyl-3-Methylquinoxaline 1,4-Dioxide
• 中文名称喹烯酮
• IUPAC名称2-cinnamoyl-3-methylquinoxaline 1,4-dioxide
• 其它别名2-Cinnamoyl-3-Methylquinoxaline 1,4-Dioxide; Quinocetone; 1-(3-Methyl-1,4-Dioxido-2-Quinoxalinyl)-3-Phenyl-2-Propen-1-One; Kuixitong; (E)-1-(3-Methyl-4-Oxido-1-Oxo-2-Quinoxalin-1-Iumyl)-3-Phenyl-2-Propen-1-One; 1-(3-Methyl-2-Quinoxalinyl)-3-Phenyl-2-Propen-1-One N,N'-Dioxide; 2-Propen-1-One, 1-(3-Methyl-1,4-Dioxido-2-Quinoxalinyl)-3-Phenyl-; Quinocetone Usp/ep/bp
• CAS编号81810-66-4
• MFCD编号:MFCD09753267
• EINECS号:891-845-1
• 分子式:C18H14N2O3
• 分子量:306.32
• 产品CID: 1810656
• 产品分类原料药 → 兽药原料

• 相似结构搜索
• InChIKey: IOKWXGMNRWVQHX-UHFFFAOYSA-N
• InChI=1S/C18H14N2O3/c1-13-18(17(21)12-11-14-7-3-2-4-8-14)20(23)16-10-6-5-9-15(16)19(13)22/h2-12H,1H3…
• 计算化学: 氢键受体数4.0氢键供体数0.0可旋转键数3.0

物理性质

• 熔点183-188 °C
• 沸点576.9±60.0 °C(预测)
• 闪点302.7±32.9 °C
• 密度1.22
• pKa:1.62±0.30(预测)
• PSA:67.99
• LogP:3.9013
• 溶解性Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
• 外观形态黄色固体
• 储存条件2-8°C
• 产品应用该化合物用于分析研究的分析分析,以通过超高性能液相色谱仪-TANDEM质谱测定法,对猪肉中的210种药物进行多期回收鉴定.

MSDS等安全信息

• GHS象形图
• GHS符号GHS08 & GHS07;
  注释: Health hazard & Exclamation mark
• 危险类别致突变性 类别2
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
• 警示词Warning(警告)
• 危险描述H341 |怀疑导致遗传缺陷.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
• 防范说明P280-P305+P351+P338-P321-P405-P501
• 安全声明H303+H313+H333

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 Quinocetone 主要起始原料 Benzaldehyde And 2-Acetyl-3-Methylquinoxalinediium-1,4-Diolate
• 13297-17-1 + 100-52-7 = 81810-66-4
  反应条件:1.1 Solvents: Ethanol; 30 Min,70 °C1.2 Catalysts: 4-Pyridinamine,N,N-Dimethyl-,Acetate (1:1); 3 H,70 °C
  标题:Improved Synthesis Of Quinocetone And Its Two Deoxy Metabolites
  作者:Li,Yuwen; Et Al
  参考文献:Journal Of The Serbian Chemical Society 日期:2018 卷标:83(3) 页码:265-270]
  
  480-96-6 = 81810-66-4
  反应条件:1.1 Reagents: Triethylamine Solvents: Ethanol; 2 H,45 °C2.1 Solvents: Ethanol; 30 Min,70 °C2.2 Catalysts: 4-Pyridinamine,N,N-Dimethyl-,Acetate (1:1); 3 H,70 °C
  标题:Improved Synthesis Of Quinocetone And Its Two Deoxy Metabolites
  作者:Li,Yuwen; Et Al
  参考文献:Journal Of The Serbian Chemical Society 日期:2018 卷标:83(3) 页码:265-270]
  
  480-96-6 = 81810-66-4
  反应条件:1.1 Reagents: Triethylamine; 24 H,Rt2.1 Reagents: Triethylamine; 2 H,Rt
  标题:Synthesis And Antibacterial Activity Of Some New Quinoxaline-1,4-Dioxide Derivatives
  作者:Xin,Zhijun; Et Al
  参考文献:Advanced Materials Research (Durnten-Zurich 日期:2013 卷标:634 页码:634-638]
  
  = 81810-66-4
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Ethanol,Water; 80 °C; 80 °C -> 0 °C1.2 Reagents: Sodium Hypochlorite; 10 Min,0 °C2.1 Reagents: Triethylamine Solvents: Ethanol; 2 H,45 °C3.1 Solvents: Ethanol; 30 Min,70 °C3.2 Catalysts: 4-Pyridinamine,N,N-Dimethyl-,Acetate (1:1); 3 H,70 °C
  标题:Improved Synthesis Of Quinocetone And Its Two Deoxy Metabolites
  作者:Li,Yuwen; Et Al
  参考文献:Journal Of The Serbian Chemical Society 日期:2018 卷标:83(3) 页码:265-270]
  
  = 81810-66-4
  反应条件:1.1 Reagents: Sodium Hydroxide,Sodium Hypochlorite Solvents: Methanol; 5 - 8 °C; 2 H,Rt2.1 Reagents: Triethylamine; 24 H,Rt3.1 Reagents: Triethylamine; 2 H,Rt
  标题:Synthesis And Antibacterial Activity Of Some New Quinoxaline-1,4-Dioxide Derivatives
  作者:Xin,Zhijun; Et Al
  参考文献:Advanced Materials Research (Durnten-Zurich 日期:2013 卷标:634 页码:634-638

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902300000-甲苯
  2902500000-苯乙烯
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

专利信息

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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• ➥ REACH监管