Cas no 61151-99-3 (4-Oxazolecarboxylic acid, 2-(3-fluorophenyl)-5-methyl-, ethyl ester)
61151-99-3 structure
Product Name:4-Oxazolecarboxylic acid, 2-(3-fluorophenyl)-5-methyl-, ethyl ester
CAS No:61151-99-3
MF:C13H12FNO3
MW:249.237687110901
CID:490437
Update Time:2024-01-30
4-Oxazolecarboxylic acid, 2-(3-fluorophenyl)-5-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Oxazolecarboxylic acid, 2-(3-fluorophenyl)-5-methyl-, ethyl ester
- ethyl 2-(3-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylate
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- Inchi： 1S/C13H12FNO3/c1-3-17-13(16)11-8(2)18-12(15-11)9-5-4-6-10(14)7-9/h4-7H,3H2,1-2H3
- InChI Key： PJBWQXNDOAMONE-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(OCC)=O)N=C1C1=CC=CC(F)=C1
Computed Properties
- Exact Mass: 249.08016
Experimental Properties
- Density: 1.212±0.06 g/cm3(Predicted)
- Melting Point: 54-56 °C(Solv: hexane (110-54-3))
- Boiling Point: 352.2±52.0 °C(Predicted)
- PSA: 52.33
- pka: -1.60±0.10(Predicted)
4-Oxazolecarboxylic acid, 2-(3-fluorophenyl)-5-methyl-, ethyl ester Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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