2-Propyn-1-Yl 4,5-Dihydro-1,3-Thiazole-4-Carboxylate
[CAS# 566916-39-0]

Identification

• Name: 2-Propyn-1-Yl 4,5-Dihydro-1,3-Thiazole-4-Carboxylate
• Synonyms: 4,5-Dihydrothiazole-4-carboxylic acid prop-2-ynyl ester; prop-2-yn-1-yl 4,5-dihydrothiazole-4-carboxylate
• Molecular Formula: C₇H₇NO₂S
• Molecular Weight: 169.20
• CAS Registry Number: 566916-39-0
• SMILES: C#CCOC(=O)C1CSC=N1
• InChI: 1S/C7H7NO2S/c1-2-3-10-7(9)6-4-11-5-8-6/h1,5-6H,3-4H2
• InChIKey: QYTJUUMIWVRAEN-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 308.4±52.0°C at 760 mmHg (Cal.)
• Flash point: 140.3±30.7°C (Cal.)
• Refractive index: 1.565 (Cal.)

References

• (1): Hans Emtenäs, Marcus Carlsson, Jerome S. Pinkner, Scott J. Hultgren and Fredrik Almqvist. Stereoselective synthesis of optically active bicyclic ß-lactam carboxylic acids that target pilus biogenesis in pathogenic bacteria, Org. Biomol. Chem., 2003, 1, 1308.