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CAS Number: 14527-42-5
ethyl thiazole-2-carboxylate

Structure

 ethyl thiazole-2-carboxylate
Name: ethyl thiazole-2-carboxylate
Synonyms:
General Information
Product Number: 14527425
CAS Registry Number: 14527-42-5
Name:
        2-​Thiazolecarboxylic acid, ethyl ester
        2-​(Ethoxycarbonyl)​thiazole; Ethyl 1,​3-​thiazole-​2-​carboxylate; Ethyl thiazole-​2-​carboxylate 
 
Chemical Formula: C6H7NO2S
Exact Mass: 157.02
Molecular Weight: 157.19
m/z: 157.02 (100.0%), 158.02 (7.7%), 159.02 (5.0%)
Elemental Analysis: C, 45.85; H, 4.49; N, 8.91; O, 20.36; S, 20.40
 
InChI: InChI=1S/C6H7NO2S/c1-2-9-6(8)5-7-3-4-10-5/h3-4H,2H2,1H3
InChIKey: MVMPKHJUPNWMDZ-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=NC=CS1
 
Thermal Properties Value Condition Note
Boiling Point 117-120 °C Press: 15 Torr (1)CAS
Boiling Point 115-120 °C Press: 3 Torr (2)CAS
Melting Point 48 °C   (1)CAS
Melting Point 47-49 °C   (6)IC
Melting Point 47-49 °C Solv: hexane (110-54-3) (5)IC

Specification

98%
References
  1. (1) Erlenmeyer, H.; Helvetica Chimica Acta 1945, V28, P924-5 CAPLUS
  2. (2) Carrara, G.; Gazzetta Chimica Italiana 1952, V82, P652-70 CAPLUS
  3. (3) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  4. (4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  5. (5) Dondoni, Alessandro; Journal of Organic Chemistry 1988, V53(8), P1748-61 CAPLUS
  6. (6) Medici, Alessandro; Tetrahedron Letters 1983, V24(28), P2901-4 CAPLUS
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