Description

(3-Bromo-2-methyl-phenyl)-carbamic acid tert-butyl ester (CAS No. 221538-03-0) is a high-purity organic compound with the molecular formula C₁₂H₁₆BrNO₂. This carbamate derivative is widely utilized in pharmaceutical and agrochemical research as a key intermediate in the synthesis of complex molecules. Its IUPAC name, tert-butyl N-(3-bromo-2-methylphenyl)carbamate, reflects its structural composition, featuring a bromo-methylphenyl group protected by a tert-butyl carbamate moiety. The compound is supplied as a crystalline solid with ≥95% purity (HPLC), ensuring consistency for sensitive applications. Proper storage at 2-8°C in a tightly sealed container is recommended to maintain stability. This product is ideal for cross-coupling reactions, peptide modifications, and as a precursor in medicinal chemistry.

Properties

• CAS Number: 221538-03-0
• Complexity: 250
• IUPAC Name: tert-butyl N-(3-bromo-2-methyl-phenyl)carbamate
• InChI: InChI=1S/C12H16BrNO2/c1-8-9(13)6-5-7-10(8)14-11(15)16-12(2,3)4/h5-7H,1-4H3,(H,14,15)
• InChI Key: LZTCPTKWYOCEMZ-UHFFFAOYSA-N
• Exact Mass: 285.03644
• Molecular Formula: C12H16BrNO2
• Molecular Weight: 286.16
• SMILES: CC1=C(C=CC=C1Br)NC(=O)OC(C)(C)C
• Topological: 38.3
• Monoisotopic Mass: 285.03644
• Synonyms: (3-Bromo-2-methyl-phenyl)-carbamic acid tert-butyl ester, 221538-03-0, MFCD11975627, tert-butyl N-(3-bromo-2-methylphenyl)carbamate, tert-butyl 3-bromo-2-methylphenylcarbamate, 3-Bromo-N-Boc-2-methylaniline, AKOS037648907, SB35526, BS-16010, SY317607, CS-0162603, D80398, EN300-3550224, (3-Bromo-2-methyl-phenyl)-carbamicacidtert-butylester, (3-Bromo-2-methyl-phenyl)-carbamic acid t-butyl ester

Application

(3-Bromo-2-methyl-phenyl)-carbamic acid tert-butyl ester serves as a versatile building block in organic synthesis, particularly in Suzuki-Miyaura and Buchwald-Hartwig coupling reactions. Researchers employ this compound to introduce bromo-substituted aromatic systems into target molecules for drug discovery. It is also used in the development of protease inhibitors and kinase modulators due to its carbamate-protected amine functionality. The tert-butyl group enhances solubility in non-polar solvents, facilitating reactions in diverse media.

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