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CAS Number: 73956-17-9
ethyl 2-formylthiazole-4-carboxylate

Structure

ethyl 2-formylthiazole-4-carboxylate
Name: ethyl 2-formylthiazole-4-carboxylate
Synonyms:
General Information
Product Number: 73956179

CAS Registry Number: 73956-17-9

Name:

4-​Thiazolecarboxylic acid, 2-​formyl-​, ethyl ester
2-​Formylthiazole-​4-​carboxylic acid ethyl ester; Ethyl 2-​formyl-​1,​3-​thiazole-​4-​carboxylate; Ethyl 2-​formylthiazole-​4-​carboxylate 

 

Chemical Formula: C7H7NO3S
Exact Mass: 185.01
Molecular Weight: 185.20
m/z: 185.01 (100.0%), 186.02 (7.8%), 187.01 (4.5%), 186.01 (1.2%)
Elemental Analysis: C, 45.40; H, 3.81; N, 7.56; O, 25.92; S, 17.31

 

InChI: InChI=1S/C7H7NO3S/c1-2-11-7(10)5-4-12-6(3-9)8-5/h3-4H,2H2,1H3
InChIKey: YKOVJIFWXRQGNC-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CSC(=N1)C=O

 

Thermal Properties Value Condition Note
Melting Point 65-67 °C   (4)CAS
Melting Point 65-67 °C   (3)CAS
Melting Point 65-66 °C   (1)CAS
Melting Point 64.3-65.6 °C Solv: ligroine (8032-32-4) (2)CAS

Specification

98%

References
  1. (1) Aulakh, Virender S.; Journal of Organic Chemistry 2009, V74(15), P5750-5753 CAPLUS
  2. (2) Bagley, Mark C.; Organic Letters 2004, V6(19), P3401-3404 CAPLUS
  3. (3) Anthony, Nahoum G.; Organic & Biomolecular Chemistry 2009, V7(9), P1843-1850 CAPLUS
  4. (4) Anthony, Nahoum G.; Journal of Medicinal Chemistry 2007, V50(24), P6116-6125 CAPLUS
  5. (5) Chiacchio, Ugo; Journal of Organic Chemistry 2005, V70(22), P8991-9001 CAPLUS
  6. (6) Patterson, Andrew W.; Journal of Organic Chemistry 2008, V73(12), P4362-4369 CAPLUS
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