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2,5-二苯基恶唑 | 92-71-7

2,5-二苯基恶唑
2,5-Diphenyloxazole
92-71-7
C15H11NO
221.253943681717
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2,5-二苯基恶唑结构式
7105
2,5-二苯基恶唑价格
名称和标识符
MDL MFCD00005306
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
SMILES N1=C(C2C=CC=CC=2)OC(C2C=CC=CC=2)=C1
BRN 0157021
别名信息
- 中文别名 -
  • 2,5-二苯基恶唑
  • 2,5-二苯基唑
  • 2,5-二苯基恶唑(用于闪烁光谱)
  • 2,5-二苯基恶唑[用于闪烁光谱法]
  • 2,5-Diphenyloxazole [for scintillation spectrometry] 2,5-二苯基恶唑[用于闪烁光谱法]
  • 2,5-二苯恶唑
  • 2,5-二苯基噁唑
  • 2,5-二苯基噁唑, 用于闪烁光谱法
  • 2,5-二苯基恶唑(DPO)
  • 2,4-二硝基苯基羟胺
  • 2,5-二苯基-1,3-氧氮杂茂
  • 2,5-二苯基噁唑(PPO)
  • 二苯咢唑
  • 同位素闪烁液萃取液
- 英文别名 -
  • 2,5-Diphenyloxazole
  • DPO
  • PPO
  • 2,5-Diphenyloxazoleometry
  • 2,5-diphenyl-Oxazole
  • dpo (scintillator)
  • 2,5-diphenyl-oxazol
  • ppo (scintillator)
  • tritosol
  • usaf ek-6775
  • Oxazole,2,5-diphenyl-
  • 2,5-Diphenyl-1,3-oxazol
  • 2,5-Diphenyloxazole [for scintillation spectrometry]
  • 2,5-diphenyl-1,3-oxazole
  • 2,5-DIPHENYLOXAZOLE (PPO) AR
  • 2.5-Diphenyloxazole
  • OXAZOLE, 2,5-DIPHENYL-
  • PPO (VAN)
  • PPO (scintillator) (VAN)
  • 2,5-Diphenyloxazole (PPO)
  • CNRNYORZJGVOSY-UHFFFAOYSA-N
  • 2,3-oxazole
  • Oxazole,5-diphenyl-
  • WLN: T5N COJ BR& DR
  • zlchem 624
  • PubChem8632
  • Diphenyloxazole (Related)
  • 2,5-Diphenyloxazole (ACI)
  • 2,5-Diphenyl-1,3-oxazole
  • DPO (scintillator)
  • NSC 24856
  • NSC 49168
  • PPO (scintillator)
  • Tritosol
物化性质
实验特性
LogP 4.00860
PSA 26.03000
折射率 1.6231 (estimate)
水溶性 NEGLEGIBLE
沸点 360 °C(lit.)
熔点 72-74 °C (lit.)
闪点 360°C
颜色与性状 针状结晶。能随水蒸气微挥发。
稳定性 Stable. Incompatible with strong oxidizing agents.
溶解性 易溶于乙醇、乙醚,几乎不溶于水。
密度 1.06
计算特性
精确分子量 221.08400
氢键供体数量 0
氢键受体数量 2
可旋转化学键数量 2
同位素质量 221.084
重原子数量 17
复杂度 231
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 4.7
互变异构体数量
表面电荷 0
拓扑分子极性表面积 26
国际标准相关数据
EINECS 24856
海关数据
海关编码 2934999090
海关数据

中国海关编码:

2934999090

概述:

2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途

Summary:

2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Reaction of Alkynes and Azides: Not Triazoles Through Copper-Acetylides but Oxazoles Through Copper-Nitrene Intermediates
Haldon, Estela; Besora, Maria; Cano, Israel; Cambeiro, Xacobe C.; Pericas, Miquel A.; et al, Chemistry - A European Journal, 2014, 20(12), 3463-3474

合成路线:1 步

反应条件:
参考文献:
Trifluoroacetic Anhydride-Mediated Solid-Phase Version of the Robinson-Gabriel Synthesis of Oxazoles
Pulici, Maurizio; Quartieri, Francesca; Felder, Eduard R., Journal of Combinatorial Chemistry, 2005, 7(3), 463-473

合成路线:1 步

反应条件:
参考文献:
A preparation method of scintillation pure level 2,5-diphenyloxazole
, China, , ,

合成路线:1 步

反应条件:
参考文献:
Metal-free dual sp3 C-H functionalization: I2-promoted domino oxidative cyclization to construct 2,5-disubstituted oxazoles
Gao, Qing-He; Fei, Zhuan; Zhu, Yan-Ping; Lian, Mi; Jia, Feng-Cheng; et al, Tetrahedron, 2013, 69(1), 22-28

合成路线:1 步

反应条件:
参考文献:
I2/TBHP-mediated tandem cyclization and oxidation reaction: Facile access to 2,5-disubstituted oxazoles
Guo, Xin; Liu, Xianyan; Li, Chonglong; Jiang, Zhibo; Nan, Zedong; et al, Tetrahedron Letters, 2022, 112,

合成路线:1 步

反应条件:
参考文献:
A New Approach to Ring Expansion of Keto Aziridines to 2,5-Diaryloxazoles
Samimi, Heshmat A.; Mohammadi, Somaye, Synlett, 2013, 24(2), 223-225

合成路线:1 步

反应条件:
参考文献:
Direct arylations on water: synthesis of 2,5-disubstituted oxazoles balsoxin and texaline
Ohnmacht, Stephan A.; Mamone, Patrizia; Culshaw, Andrew J.; Greaney, Michael F., Chemical Communications (Cambridge, 2008, (10), 1241-1243

合成路线:1 步

反应条件:
参考文献:
The boron fluoride catalyzed decomposition of diazocarbonyl compounds in nitriles: synthesis of oxazoles
Ibata, Toshikazu; Sato, Ryohei, Chemistry Letters, 1978, (10), 1129-30

合成路线:1 步

反应条件:
参考文献:
Semi-heterogeneous photo-Cu-dual-catalytic cross-coupling reactions using polymeric carbon nitrides
Zhang, Zhaofei; Xu, Yangsen; Zhang, Qitao; Fang, Shaofan; Sun, Hongli; et al, Science Bulletin, 2022, 67(1), 71-78

合成路线:1 步

反应条件:
参考文献:
Iodine(III)-promoted synthesis of oxazoles through oxidative cyclization of N-styryl benzamides
Hempel, Christian; Nachtsheim, Boris J., Synlett, 2013, 24(16), 2119-2123

合成路线:1 步

反应条件:
参考文献:
Bimetallic Cooperative Catalysis for Decarbonylative Heteroarylation of Carboxylic Acids via C-O/C-H Coupling
Liu, Chengwei ; Ji, Chong-Lei; Zhou, Tongliang; Hong, Xin ; Szostak, Michal, Angewandte Chemie, 2021, 60(19), 10690-10699

合成路线:1 步

反应条件:
参考文献:
Direct Arylation of Thiazoles
Turner, Gemma L., 2008, , ,

合成路线:1 步

反应条件:
参考文献:
Direct arylation of thiazoles on water
Turner, Gemma L.; Morris, James A.; Greaney, Michael F., Angewandte Chemie, 2007, 46(42), 7996-8000

合成路线:1 步

反应条件:
参考文献:
Pd(II)-catalyzed direct C5-arylation of azole-4-carboxylates through double C-H bond cleavage
Li, Ziyuan; Ma, Ling; Xu, Jinyi; Kong, Lingyi; Wu, Xiaoming; et al, Chemical Communications (Cambridge, 2012, 48(31), 3763-3765

合成路线:1 步

反应条件:
参考文献:
Copper-Catalyzed Oxidative Arylation of Heteroarenes under Mild Conditions Using Dioxygen as the Sole Oxidant
Yang, Fanzhi; Xu, Zhaoqing; Wang, Zhe; Yu, Zhengkun; Wang, Rui, Chemistry - A European Journal, 2011, 17(23), 6321-6325

合成路线:1 步

参考文献:
Thermal rearrangements of arylaroylaziridines to 2,5-diaryloxazoles
Padwa, Albert; Eisenhardt, William, Chemical Communications (London), 1968, (7), 380-1

合成路线:1 步

反应条件:
参考文献:
N-Bromosuccinimide as a Brominating Agent for the Transformation of N-H (or N-Benzyl) Ketoaziridines into Oxazoles
Samimi, Heshmat A.; Dadvar, Farkhondeh, Synthesis, 2015, 47(13), 1899-1904

合成路线:1 步

反应条件:
参考文献:
Rapid synthesis of oxazoles under microwave conditions
Brain, Christopher T.; Paul, Jane M., Synlett, 1999, (10), 1642-1644

合成路线:1 步

反应条件:
参考文献:
TBHP/I2-Mediated Domino Oxidative Cyclization for One-Pot Synthesis of Polysubstituted Oxazoles
Jiang, Huan-Feng; Huang, Hua-Wen; Cao, Hua; Qi, Chao-Rong, Organic Letters, 2010, 12(23), 5561-5563

合成路线:1 步

反应条件:
参考文献:
Metal-Free sp3 C-H Functionalization: PABS/I2-Promoted Synthesis of Polysubstituted Oxazole Derivatives from Arylethanones and 2-Amino-2-alkyl/arylacetic Acid
Hu, Ting; Yan, Hao; Liu, Xingxing; Wu, Chaoyang; Fan, Yuxing; et al, Synlett, 2015, 26(20), 2866-2869
相关文献
专业数据库参考
PubChemId 7105
参考资料
Reaxys RN 157021
Beilstein 157021
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