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CAS Number: 100367-77-9
ethyl 2-bromothiazole-4-carboxylate

Structure

ethyl 2-bromothiazole-4-carboxylate
Name: ethyl 2-bromothiazole-4-carboxylate
Synonyms:
General Information
Product Number: 100367779
CAS Registry Number: 100367-77-9
Name:
4-​Thiazolecarboxylic acid, 2-​bromo-​, ethyl ester
2-​Bromo-​1,​3-​thiazole-​4-​carboxylic acid ethyl ester; 2-​Bromo-​4-​ethoxycarbonylthiazo​le; 2-​Bromothiazole-​4-​carboxylic acid ethyl ester; Ethyl 2-​bromo-​1,​3-​thiazole-​4-​carboxylate; Ethyl 2-​bromothiazole-​4-​carboxylate; NSC 603614 
 
Chemical Formula: C6H6BrNO2S
Exact Mass: 234.93
Molecular Weight: 236.09
m/z: 236.93 (100.0%), 234.93 (97.8%), 237.93 (7.7%), 235.93 (7.6%), 238.92 (4.3%)
Elemental Analysis: C, 30.52; H, 2.56; Br, 33.85; N, 5.93; O, 13.55; S, 13.58
 
InChI: InChI=1S/C6H6BrNO2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3
InChIKey: CNHISCQPKKGDPO-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CSC(=N1)Br
 
Thermal Properties Value Condition Note
Boiling Point 152-154 °C Press: 13 Torr (1)CAS
Melting Point 70 °C   (4)CAS
Melting Point 69-70 °C Solv: ligroine (8032-32-4) (1)CAS
Melting Point 68.2-69.5 °C   (3)CAS

Specification

98%

References
  1. (1) Erlenmeyer, H.; Helvetica Chimica Acta 1942, V25, P1073-7 CAPLUS
  2. (2) Ung, Alison T.; Tetrahedron: Asymmetry 1998, V9(8), P1395-1407 CAPLUS
  3. (3) Wipf, Peter; Organic Letters 2007, V9(8), P1605-1607 CAPLUS
  4. (4) Delgado, Oscar; Chemistry - A European Journal 2008, V14(8), P2322-2339 CAPLUS
  5. (5) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  6. (6) Chen, Hai-Jun; ChemMedChem 2008, V3(9), P1316-1321 CAPLUS
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