4-Oxazolecarboxylicacid,5-(4-nitrophenyl)-,ethyl ester

CAS

72030-87-6

Catalog Number

ACM72030876

Category

Other Products

Molecular Weight

262.21

Molecular Formula

C₁₂H₁₀N₂O₅

MSDS COA Spec Sheet

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Specification

Synonyms

72030-87-6, ethyl 5-(4-nitrophenyl)oxazole-4-carboxylate, ethyl 5-(4-nitrophenyl)-1,3-oxazole-4-carboxylate, 5-(4-Nitro-phenyl)-oxazole-4-carboxylic acid ethyl ester, SBB024194, AG-G-83021, 5-(4-Nitro-phenyl)-oxazole-4-carboxylicacidethylester, ethyl 5-(4-nitrophenyl)-1,3-oxazole-4-carboxylate, 5-(4-nitrophenyl)-oxazole-4-carboxylic acid ethyl ester, ACMC-209ole, CTK5D5397, MolPort-000-894-590, ACN-S001804, ACT06440, ANW-36144, STK351227, ZINC02577846, AKOS000314060, AKOS015922054, AB11113

IUPAC Name

ethyl 5-(4-nitrophenyl)-1,3-oxazole-4-carboxylate

Canonical SMILES

CCOC(=O)C1=C(OC=N1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI Key

WFXGNVYQHVQFKU-UHFFFAOYSA-N

Boiling Point

439.895ºC at 760 mmHg

Flash Point

219.841ºC

Density

1.331g/cm³

Exact Mass

262.05900

Hazard Statements

Xi: Irritant;

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

2999-46-4
122-04-3

72030-87-6

Reference: [1]Baumann, Marcus; Baxendale, Ian R.; Ley, Steven V.; Smith, Christoper D.; Tranmer, Geoffrey K.
[Organic Letters, 2006, vol. 8, # 23, p. 5231 - 5234]
[2]Shearer, Barry G.; Chao, Esther Y.; Uehling, David E.; Deaton, David N.; Cowan, Conrad; Sherman, Bryan W.; Milliken, Tula; Faison, Walter; Brown, Kathleen; Adkison, Kimberly K.; Lee, Frank
[Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 16, p. 4670 - 4677]
[3]Henneke,K.-W. et al.
[Liebigs Annalen der Chemie, 1979, p. 1370 - 1387]