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CAS Number: 20485-39-6
ethyl 4-methyloxazole-5-carboxylate

Structure

ethyl 4-methyloxazole-5-carboxylate
Name: ethyl 4-methyloxazole-5-carboxylate
Synonyms:
General Information
Product Number: 20485396
CAS Registry Number: 20485-39-6
Name:
        5-​Oxazolecarboxylic acid, 4-​methyl-​, ethyl ester
        4-​Methyl-​5-​carbethoxyoxazole; 4-​Methyloxazole-​5-​carboxylic acid ethyl ester; Ethyl 4-​methyloxazolecarboxy​late 
 
Chemical Formula: C7H9NO3
Exact Mass: 155.06
Molecular Weight: 155.15
m/z: 155.06 (100.0%), 156.06 (8.2%)
Elemental Analysis: C, 54.19; H, 5.85; N, 9.03; O, 30.94
 
InChI: InChI=1S/C7H9NO3/c1-3-10-7(9)6-5(2)8-4-11-6/h4H,3H2,1-2H3
InChIKey: XNMORZSEENWFLI-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(N=CO1)C
 
Thermal Properties Value Condition Note
Boiling Point 100-103 °C Press: 21 Torr (1)CAS
Boiling Point 59-62 °C Press: 1.5 Torr (2)CAS
Melting Point 38 °C   (1)CAS
Melting Point 36-37 °C   (6)IC
 

Specification

98%

References

  • (1) FR 1543853 1968 CAPLUS
  • (2) Kondrat'eva, G. Ya.; Zhurnal Obshchei Khimii 1962, V32, P2348-53 CAPLUS
  • (3) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  • (4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  • (5) Sanderson, Hans; Toxicology Letters 2009, V187(2), P84-93 CAPLUS
  • (6) Comisso, Giovanni; Acta Pharmaceutica Jugoslavica 1979, V29(3), P125-30 CAPLUS
  • (7) Howe, Robert Kenneth; EP 27020 A1 1981 CAPLUS
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