2-Butyl-1,2-benzothiazol-3(2H)-one(CAS: 4299-07-4)

CAS Number
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Basic Information
Molecular Formula
C11H13NOS
Molecular Weight
207.3 g/mol
Physical Properties
Boiling Point
180°C/0.8mmHg(lit.)
Chemical Identifiers
SMILES
O=C1N(CCCC)SC2=C1C=CC=C2
InChIKey
LUYIHWDYPAZCNN-UHFFFAOYSA-N
Database References
MDL Number
MFCD09751282
FAQ
2-Butyl-1,2-benzothiazol-3(2H)-one is a crystalline solid with a molecular weight of approximately 212.28 g/mol. It has a solubility in water of 0.01 g/L and is soluble in organic solvents such as ethanol and acetone. Chemically, it is relatively stable but can undergo ring-opening reactions under basic conditions. It is also known for its ability to form complexes with metal ions.
2-Butyl-1,2-benzothiazol-3(2H)-one is typically synthesized via the condensation of 2-butylthioacetic acid with benzaldehyde, followed by ring closure. This process involves the use of a strong base like sodium hydroxide, and the yield is around 75-85%. The reaction is carried out under reflux in an aqueous alcohol mixture.
2-Butyl-1,2-benzothiazol-3(2H)-one finds applications in the pharmaceutical industry for its potential use as a medicinal intermediate. It is also utilized in the polymer industry for improving the thermal stability of polymers and in the sensor and semiconductor industries for its catalytic properties.
When handling 2-Butyl-1,2-benzothiazol-3(2H)-one, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight. In case of spill, it should be handled in a fume hood. Always refer to the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
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