CAS: 92-71-7; 2,5-Diphenyloxazole

• 英文名称2,5-Diphenyloxazole
• 中文名称2,5-二苯基噁唑
• IUPAC名称2,5-diphenyloxazole
• 其它别名Dpo, Ppo; Tritosol; 2,5-Diphenyloxazole; 2,5-Diphenyl-Oxazole; 2,5-Diphenyloxazole, , Suitable For Scintillation
• CAS编号92-71-7
• MFCD编号:MFCD00005306
• EINECS号:202-181-3
• FDA UNII编号:2P8A647RYF
• 分子式:C15H11NO
• 分子量:221.26
• 产品CID: 1965748
• 产品分类有机原料→分子砌块→芳杂环类化合物→噁唑类化合物

• 相似结构搜索
• 产品信息参考;
• InChIKey: CNRNYORZJGVOSY-UHFFFAOYSA-N
• InChI=1S/C15H11NO/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13/h1-11H…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数2.0

相似化合物

物理性质

• 熔点72-74°C
• 沸点360.0±0.0 °C at 760 mmHg
• 闪点162.3±21.9 °C
• 密度1.1±0.1 g/cm3
• pKa:0.39±0.10(预测)
• PSA:26.03
• LogP:4.0086
• 折射率1.586
• 蒸汽压0.0±0.7 mmHg at 25°C
• 溶解性Very Faint Turbidity In Methanol
• 敏感性Stable. Incompatible with strong oxidizing agents.
• 外观形态白色液体
• 储存条件密封, 常温干燥保存
• 产品应用该品是闪烁试剂.
• 性质描述针状结晶.熔点74°C,溶于醇,醚和石油醚,不溶于水.能随水蒸气微挥发.沸点360°C.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(经口)
  严重眼刺激 类别2
  水生慢性毒性 类别4
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H319 |造成严重眼刺激.
  H413 |可能对水生生物造成长期有害影响.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• UN编号NONH for all modes of transport
• 危险品标志Xi,Xn
• 安全声明24/25-25-24-36/37-26
• 危险类别码36/37/38-36-22
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 582-61-6 = 92-71-7
  反应条件:1.1 Catalysts: Copper(1+),[n,N-Bis[(3,5-Dimethyl-1H-Pyrazol-1-Yl-Kn2)Methyl]-3,5-Dimethyl-1H-P...; 24 H,40 °C
  标题:Reaction Of Alkynes And Azides: Not Triazoles Through Copper-Acetylides But Oxazoles Through Copper-Nitrene Intermediates
  作者:Haldon,Estela; Besora,Maria; Cano,Israel; Cambeiro,Xacobe C.; Pericas,Miquel A.; Et Al
  参考文献:Chemistry - A European Journal 日期:2014 卷标:20(12) 页码:3463-3474]
  
  1705575-32-1 = 92-71-7
  反应条件:1.1 Solvents: 1,4-Dioxane; Reflux
  标题:N-Bromosuccinimide As A Brominating Agent For The Transformation Of N-H (Or N-Benzyl) Ketoaziridines Into Oxazoles
  作者:Samimi,Heshmat A.; Dadvar,Farkhondeh
  参考文献:Synthesis 日期:2015 卷标:47(13) 页码:1899-1904]
  
  4190-14-1 = 92-71-7
  反应条件:1.1 Reagents: Ethanaminium,N,N-Diethyl-N-[[(Methoxycarbonyl)Amino]Sulfonyl]-,Inner Salt Solvents: Tetrahydrofuran
  标题:Rapid Synthesis Of Oxazoles Under Microwave Conditions
  作者:Brain,Christopher T.; Paul,Jane M.
  参考文献:Synlett 日期:1999 卷标:(10) 页码:1642-1644]
  
  3282-32-4 = 92-71-7
  反应条件:1.1 Reagents: Boron Trifluoride
  标题:The Boron Fluoride Catalyzed Decomposition Of Diazocarbonyl Compounds In Nitriles: Synthesis Of Oxazoles
  作者:Ibata,Toshikazu; Sato,Ryohei
  参考文献:Chemistry Letters 日期:1978 卷标:(10) 页码:1129-30]
  
  613-89-8 + 98-88-4 = 92-71-7
  反应条件:1.1 Reagents: Diisopropylethylamine,1-(Bromophenylmethyl)-4-Methoxybenzene (Polystyrene-Bound) Solvents: Dichloromethane; Overnight,Rt1.2 Reagents: Diisopropylethylamine Solvents: Dichloromethane; Rt1.3 Reagents: Trifluoroacetic Acid Solvents: 1,2-Dimethoxyethane
  标题:Trifluoroacetic Anhydride-Mediated Solid-Phase Version Of The Robinson-Gabriel Synthesis Of Oxazoles
  作者:Pulici,Maurizio; Quartieri,Francesca; Felder,Eduard R.
  参考文献:Journal Of Combinatorial Chemistry 日期:2005 卷标:7(3) 页码:463-473]
  
  591-50-4 + 1006-68-4 = 92-71-7
  反应条件:1.1 Reagents: Lithium Tert-Butoxide Catalysts: Cuprous Iodide,Carbon Nitride (Polymeric) Solvents: Dimethylformamide; 1 Min,Rt; 10 - 24 H,25 °C1.2 Solvents: Water
  标题:Semi-Heterogeneous Photo-Cu-Dual-Catalytic Cross-Coupling Reactions Using Polymeric Carbon Nitrides
  作者:Zhang,Zhaofei; Xu,Yangsen; Zhang,Qitao; Fang,Shaofan; Sun,Hongli; Et Al
  参考文献:Science Bulletin 日期:2022 卷标:67(1) 页码:71-78]
  
  495-69-2 = 92-71-7
  反应条件:1.1 Reagents: Thionyl Chloride; 50 °C1.2 Catalysts: Aluminum Chloride; 3 H,Reflux; Reflux -> 30 °C1.3 Reagents: Sulfuric Acid Solvents: Water; Rt -> 100 °C; 100 °C
  标题:A Preparation Method Of Scintillation Pure Level 2,5-Diphenyloxazole
  参考文献:China]
  
  = 92-71-7
  反应条件:1.1 Reagents: Trimethylsilyl Triflate Solvents: Diethyl Ether,Dichloromethane; -78 °C; 15 Min,0 °C
  标题:Iodine(Iii)-Promoted Synthesis Of Oxazoles Through Oxidative Cyclization Of N-Styryl Benzamides
  作者:Hempel,Christian; Nachtsheim,Boris J.
  参考文献:Synlett 日期:2013 卷标:24(16) 页码:2119-2123]
  
  18735-78-9 = 92-71-7
  反应条件:1.1 Reagents: Acetic Acid,Silver Carbonate Solvents: Dimethyl Sulfoxide; 24 H,120 °C; 120 °C -> Rt
  标题:Pd(Ii)-Catalyzed Direct C5-Arylation Of Azole-4-Carboxylates Through Double C-H Bond Cleavage
  作者:Li,Ziyuan; Ma,Ling; Xu,Jinyi; Kong,Lingyi; Wu,Xiaoming; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2012 卷标:48(31) 页码:3763-3765]
  
  5123-13-7 + 1006-68-4 = 92-71-7
  反应条件:1.1 Reagents: Sodium Tert-Butoxide,Oxygen Catalysts: Cuprous Chloride Solvents: Dimethylformamide; 20 Min,1 Atm,80 °C
  标题:Copper-Catalyzed Oxidative Arylation Of Heteroarenes Under Mild Conditions Using Dioxygen As The Sole Oxidant
  作者:Yang,Fanzhi; Xu,Zhaoqing; Wang,Zhe; Yu,Zhengkun; Wang,Rui
  参考文献:Chemistry - A European Journal 日期:2011 卷标:17(23) 页码:6321-6325]
  
  109152-52-5 = 92-71-7 [标题:Reaction Conditions
  标题:Thermal Rearrangements Of Arylaroylaziridines To 2,5-Diaryloxazoles
  作者:Padwa,Albert; Eisenhardt,William
  参考文献:Chemical Communications (London) 日期:1968 卷标:(7) 页码:380-1]
  
  65-85-0 + 1006-68-4 = 92-71-7
  反应条件:1.1 Reagents: 4-(Dimethylamino)Pyridine,Pivalic Anhydride Catalysts: Palladium Diacetate,1,4-Bis(Diphenylphosphino)Butane,Copper Fluoride (Cuf2) Solvents: 1,4-Dioxane; Rt; 15 H,160 °C
  标题:Bimetallic Cooperative Catalysis For Decarbonylative Heteroarylation Of Carboxylic Acids Via C-O/c-H Coupling
  作者:Liu,Chengwei; Ji,Chong-Lei; Zhou,Tongliang; Hong,Xin; Szostak,Michal
  参考文献:Angewandte Chemie 日期:2021 卷标:60(19) 页码:10690-10699]
  
  1075-06-5 = 92-71-7
  反应条件:1.1 Reagents: Iodine Solvents: Dimethyl Sulfoxide; 100 °C
  标题:Metal-Free Dual Sp3 C-H Functionalization: I2-Promoted Domino Oxidative Cyclization To Construct 2,5-Disubstituted Oxazoles
  作者:Gao,Qing-He; Fei,Zhuan; Zhu,Yan-Ping; Lian,Mi; Jia,Feng-Cheng; Et Al
  参考文献:Tetrahedron 日期:2013 卷标:69(1) 页码:22-28]
  
  94-41-7 = 92-71-7
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide,Cesium Carbonate,Ammonium Oxalate Monohydrate Catalysts: Iodine Solvents: Dimethyl Sulfoxide; 10 H,100 °C
  标题:I2/tbhp-Mediated Tandem Cyclization And Oxidation Reaction: Facile Access To 2,5-Disubstituted Oxazoles
  作者:Guo,Xin; Liu,Xianyan; Li,Chonglong; Jiang,Zhibo; Nan,Zedong; Et Al
  参考文献:Tetrahedron Letters 日期:2022 卷标:112]
  
  591-50-4 + 288-42-6 = 92-71-7
  反应条件:1.1 Reagents: Silver Carbonate,Triphenylphosphine Catalysts: Dichloro[1,1′-Bis(Diphenylphosphino)Ferrocene]Palladium(Ii) Dichloromethane Addu... Solvents: Water
  标题:Direct Arylation Of Thiazoles
  作者:Turner,Gemma L.
  参考文献:2008]
  
  591-50-4 + 20662-88-8 = 92-71-7
  反应条件:1.1 Reagents: Silver Carbonate Catalysts: Triphenylphosphine,Dichloro[1,1′-Bis(Diphenylphosphino)Ferrocene]Palladium(Ii) Dichloromethane Addu... Solvents: Water; 24 H,60 °C
  标题:Direct Arylations On Water: Synthesis Of 2,5-Disubstituted Oxazoles Balsoxin And Texaline
  作者:Ohnmacht,Stephan A.; Mamone,Patrizia; Culshaw,Andrew J.; Greaney,Michael F.
  参考文献:Chemical Communications (Cambridge 日期:2008 卷标:(10) 页码:1241-1243]
  
  591-50-4 + 20662-88-8 = 92-71-7
  反应条件:1.1 Reagents: Silver Carbonate,Triphenylphosphine Catalysts: [1,1′-Bis(Diphenylphosphino)Ferrocene]Dichloropalladium Solvents: Water; 24 H,60 °C
  标题:Direct Arylation Of Thiazoles On Water
  作者:Turner,Gemma L.; Morris,James A.; Greaney,Michael F.
  参考文献:Angewandte Chemie 日期:2007 卷标:46(42) 页码:7996-8000]
  
  = 92-71-7
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide,Iodine Solvents: Dimethyl Sulfoxide; 12 H,80 °C
  标题:Tbhp/i2-Mediated Domino Oxidative Cyclization For One-Pot Synthesis Of Polysubstituted Oxazoles
  作者:Jiang,Huan-Feng; Huang,Hua-Wen; Cao,Hua; Qi,Chao-Rong
  参考文献:Organic Letters 日期:2010 卷标:12(23) 页码:5561-5563]
  
  = 92-71-7
  反应条件:1.1 Reagents: Dicyclohexylcarbodiimide,Iodine Solvents: Acetonitrile; 2 H,Reflux
  标题:A New Approach To Ring Expansion Of Keto Aziridines To 2,5-Diaryloxazoles
  作者:Samimi,Heshmat A.; Mohammadi,Somaye
  参考文献:Synlett 日期:2013 卷标:24(2) 页码:223-225]
  
  98-86-2 + 2835-06-5 = 92-71-7
  反应条件:1.1 Reagents: Sulfanilamide,Iodine,Oxygen Solvents: Dimethyl Sulfoxide; 5 H,100 °C
  标题:Metal-Free Sp3 C-H Functionalization: Pabs/i2-Promoted Synthesis Of Polysubstituted Oxazole Derivatives From Arylethanones And 2-Amino-2-Alkyl/arylacetic Acid
  作者:Hu,Ting; Yan,Hao; Liu,Xingxing; Wu,Chaoyang; Fan,Yuxing; Et Al
  参考文献:Synlett 日期:2015 卷标:26(20) 页码:2866-2869

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