Structure

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

CAS
72030-87-6
Catalog Number
ACM72030876
Category
Other Products
Molecular Weight
262.21
Molecular Formula
C12H10N2O5

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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
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
6
H-Bond Donor
0

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]

Downstream Synthesis Route 1

  • 72030-87-6
  • 4740-22-1

Reference: [1]Henneke,K.-W. et al.
[Liebigs Annalen der Chemie, 1979, p. 1370 - 1387]

Downstream Synthesis Route 2

  • 72030-87-6
  • 950603-70-0

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 4670 - 4677

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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