Description

tert-Butyl (4-bromo-3-fluorophenyl)carbamate (CAS No. 868735-43-7) is a high-purity, synthetic organic compound with the molecular formula C₁₁H₁₃BrFNO₂. This Boc-protected aniline derivative is widely utilized in pharmaceutical and agrochemical research as a versatile building block for the synthesis of complex molecules. The compound features a bromo-fluorophenyl moiety, which enhances its reactivity in cross-coupling reactions such as Suzuki-Miyaura and Buchwald-Hartwig couplings. With a molecular weight of 290.13 g/mol, it is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC). Ideal for medicinal chemistry applications, this reagent is packaged under inert gas to ensure stability and longevity. Store in a cool, dry place (2-8°C) and handle under standard laboratory conditions.

Properties

• CAS Number: 868735-43-7
• Complexity: 255
• IUPAC Name: tert-butyl N-(4-bromo-3-fluoro-phenyl)carbamate
• InChI: InChI=1S/C11H13BrFNO2/c1-11(2,3)16-10(15)14-7-4-5-8(12)9(13)6-7/h4-6H,1-3H3,(H,14,15)
• InChI Key: FQLYUJLJZFATNI-UHFFFAOYSA-N
• Exact Mass: 289.01137
• Molecular Formula: C11H13BrFNO2
• Molecular Weight: 290.13
• SMILES: CC(C)(C)OC(=O)NC1=CC(=C(C=C1)Br)F
• Topological: 38.3
• Monoisotopic Mass: 289.01137
• Synonyms: 868735-43-7, tert-Butyl (4-bromo-3-fluorophenyl)carbamate, tert-butyl N-(4-bromo-3-fluorophenyl)carbamate, N-Boc-4-bromo-3-fluoroaniline, (4-Bromo-3-fluoro-phenyl)-carbamic acid tert-butyl ester, tert-butyl 4-bromo-3-fluorophenylcarbamate, MFCD11976284, SCHEMBL1137026, 4-Bromo-N-Boc-3-fluoroaniline, FQLYUJLJZFATNI-UHFFFAOYSA-N, AKOS014773272, SB39198, AS-43380, SY387877, DB-257738, CS-0181207, tert-Butyl(4-bromo-3-fluorophenyl)carbamate, EN300-129550, tert-Butyl N-(4-bromo-3-fluoro-phenyl)carbamate, (4-Bromo-3-fluoro-phenyl)-carbamic acid tert-butyl ester, AldrichCPR

Application

tert-Butyl (4-bromo-3-fluorophenyl)carbamate serves as a key intermediate in the synthesis of biologically active compounds, particularly in the development of kinase inhibitors and antimicrobial agents. Its bromo and fluoro substituents enable selective functionalization via palladium-catalyzed cross-coupling reactions. Researchers also employ this compound in peptide coupling and protecting group strategies due to its Boc (tert-butoxycarbonyl) moiety. Suitable for high-throughput screening and combinatorial chemistry applications.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

• P264, P270, P301+P317, P330, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)

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