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CAS Number: 6436-59-5
ethyl 2-methylthiazole-4-carboxylate

Structure

ethyl 2-methylthiazole-4-carboxylate
Name: ethyl 2-methylthiazole-4-carboxylate
Synonyms:
General Information
Product Number: 6436595
CAS Registry Number: 6436-59-5
Name:
        4-​Thiazolecarboxylic acid, 2-​methyl-​, ethyl ester
        2-​Methyl-​1,​3-​thiazole-​4-​carboxylic acid ethyl ester; 2-​Methylthiazole-​4-​carboxylic acid ethyl ester; Ethyl 2-​methyl-​1,​3-​thiazole-​4-​carboxylate; Ethyl 2-​methyl-​4-​thiazolecarboxylate; NSC 159893 
 
Chemical Formula: C7H9NO2S
Exact Mass: 171.04
Molecular Weight: 171.22
m/z: 171.04 (100.0%), 172.04 (7.8%), 173.03 (4.5%), 172.03 (1.2%)
Elemental Analysis: C, 49.10; H, 5.30; N, 8.18; O, 18.69; S, 18.73
 
InChI: InChI=1S/C7H9NO2S/c1-3-10-7(9)6-4-11-5(2)8-6/h4H,3H2,1-2H3
InChIKey: QWWPUBQHZFHZSF-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CSC(=N1)C
 
Thermal Properties Value Condition Note
Melting Point 64-65 °C   (4)CAS
Melting Point 58 °C   (5)CAS
Melting Point 55-56 °C   (2)CAS
Melting Point 54-55 °C   (6)CAS

Specification

98%

References
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  2. (2) Zhan, Weiqiang; Organic Letters 2008, V10(8), P1565-1568 CAPLUS
  3. (3) Rizvanov, I.; Advances in Mass Spectrometry 2001, V15, P733-734 CAPLUS
  4. (4) Ganapathi, K.; Proceedings - Indian Academy of Sciences, Section A 1945, V22A, P359-61 CAPLUS
  5. (5) Jones, E. R. H.; Journal of the Chemical Society 1946, P87-91 CAPLUS
  6. (6) Barton, Moira A.; Journal of the Chemical Society [Section] C: Organic 1966, (12), P1061-5 CAPLUS
  7. (7) Huang, Yue; Tetrahedron Letters 2010, V51(13), P1751-1753 CAPLUS
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