Description

2-Bromo-N-isopropylbenzamide (CAS No. 64141-90-8) is a high-purity brominated benzamide derivative with the molecular formula C₁₀H₁₂BrNO. This compound, also known by its IUPAC name 2-bromo-N-propan-2-ylbenzamide, is a valuable intermediate in organic synthesis and pharmaceutical research. With a molecular weight of 242.11 g/mol, it features a brominated aromatic ring coupled with an isopropylamide moiety, making it a versatile building block for cross-coupling reactions, amide bond transformations, and medicinal chemistry applications. The product is supplied as a white to off-white crystalline solid with ≥95% purity (HPLC), ensuring consistency for demanding research applications. Proper storage at 2-8°C in a tightly sealed container under inert atmosphere is recommended to maintain stability. This compound is intended for research purposes only and is not for human or veterinary use.

Properties

• CAS Number: 64141-90-8
• Complexity: 182
• IUPAC Name: 2-bromo-N-isopropyl-benzamide
• InChI: InChI=1S/C10H12BrNO/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,1-2H3,(H,12,13)
• InChI Key: MTAGIJZTHYEKKP-UHFFFAOYSA-N
• Exact Mass: 241.01023
• Molecular Formula: C10H12BrNO
• Molecular Weight: 242.11
• SMILES: CC(C)NC(=O)C1=CC=CC=C1Br
• Topological: 29.1
• Monoisotopic Mass: 241.01023
• Synonyms: 2-Bromo-N-isopropylbenzamide, 64141-90-8, N-Isopropyl 2-bromobenzamide, 2-bromo-N-propan-2-ylbenzamide, MFCD00779656, Benzamide,2-bromo-N-(1-methylethyl)-, CBDivE_015155, SCHEMBL13761364, DTXSID10366083, 2-bromo-N-(propan-2-yl)benzamide, STK416386, AKOS000185768, NCGC00342991-01, BS-28968, SY317516, (2-bromophenyl)-N-(methylethyl)carboxamide, DB-054614, CS-0153999, ST45049820, 10.14272/MTAGIJZTHYEKKP-UHFFFAOYSA-N, D81696, AB00080954-01, AB00080954-03, AK-968/10797036, doi:10.14272/MTAGIJZTHYEKKP-UHFFFAOYSA-N

Application

2-Bromo-N-isopropylbenzamide serves as a key synthetic intermediate in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Researchers utilize this compound in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Heck, or Buchwald-Hartwig couplings) to construct complex molecular architectures. The bromine substituent offers an excellent handle for further functionalization, while the isopropylamide group contributes to both steric and electronic effects in reaction design. In medicinal chemistry, this scaffold has shown potential in the development of kinase inhibitors and other biologically active molecules. Its unique structure makes it particularly valuable for structure-activity relationship (SAR) studies in drug discovery programs.

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