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Tert-butyl 4-bromo-2-methylbenzoate(CAS: 445003-37-2)

Tert-butyl 4-bromo-2-methylbenzoate
CAS Number

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Basic Information

Molecular Formula
C12H15BrO2
Molecular Weight
271.15 g/mol

Chemical Identifiers

SMILES
CC1=C(C=CC(=C1)Br)C(=O)OC(C)(C)C
InChIKey
KKSOKTQAWHCIMG-UHFFFAOYSA-N

Database References

MDL Number
MFCD08703427

FAQ

Tert-butyl 4-bromo-2-methylbenzoate is a crystalline compound with a molecular weight of approximately 296.13 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. The compound is moderately reactive and can undergo substitution reactions, particularly with nucleophiles. It can be stored at room temperature but should be protected from moisture and light.
Tert-butyl 4-bromo-2-methylbenzoate is typically synthesized through a bromination reaction of 2-methylbenzoic acid with tert-butyl chloride in the presence of a base like sodium hydroxide. The reaction is carried out in an organic solvent such as acetonitrile. The product is isolated by filtration and recrystallization, yielding a high purity compound with a yield of approximately 80-85%.
Tert-butyl 4-bromo-2-methylbenzoate is used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It is also applied in the polymer industry for the modification of polymer properties. Additionally, it has potential uses in the manufacturing of sensors and semiconductors, although its application in these areas is less common compared to the pharmaceutical and polymer industries.
When handling Tert-butyl 4-bromo-2-methylbenzoate, it is important to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation of fumes. Spills should be cleaned up using appropriate absorbents, and the area should be thoroughly rinsed with water. Always refer to the Safety Data Sheet (SDS) for detailed 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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