Description

Tert-butyl 3-acetylphenylcarbamate (CAS No. 79537-70-5) is a high-purity carbamate derivative with the molecular formula C₁₃H₁₇NO₃. This compound, also known by its IUPAC name tert-butyl N-(3-acetylphenyl)carbamate, features a tert-butyl carbamate group attached to a 3-acetylphenyl moiety, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its structural properties lend it to applications in peptide coupling, protecting group strategies, and as a precursor in the development of bioactive molecules. Available in >98% purity, this white to off-white crystalline powder is rigorously tested via HPLC, NMR, and mass spectrometry to ensure consistency and reliability for research applications. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 79537-70-5
• Complexity: 294
• IUPAC Name: tert-butyl N-(3-acetylphenyl)carbamate
• InChI: InChI=1S/C13H17NO3/c1-9(15)10-6-5-7-11(8-10)14-12(16)17-13(2,3)4/h5-8H,1-4H3,(H,14,16)
• InChI Key: UBLMWQYLVOVZMT-UHFFFAOYSA-N
• Exact Mass: 235.12084340
• Molecular Formula: C13H17NO3
• Molecular Weight: 235.28
• SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)OC(C)(C)C
• Topological: 55.4
• Monoisotopic Mass: 235.12084340
• Synonyms: 79537-70-5, tert-butyl 3-acetylphenylcarbamate, tert-Butyl (3-acetylphenyl)carbamate, (3-Acetyl-phenyl)-carbamic acid tert-butyl ester, Tert-butyl N-(3-acetylphenyl)carbamate, MFCD09953028, tert-Butyl(3-acetylphenyl)carbamate, SCHEMBL5337975, DTXSID30457644, AB3280, AKOS010226616, DS-6461, SB38808, SY108631, DB-075601, EN300-748741, tert-Butyl 3-acetylphenylcarbamate, AldrichCPR, 3 inverted exclamation mark -(Boc-amino)acetophenone

Application

Tert-butyl 3-acetylphenylcarbamate is widely used as a key synthetic intermediate in medicinal chemistry, particularly for the preparation of protease inhibitors and other pharmacologically active compounds. Its tert-butyl carbamate (Boc) group serves as a protecting group for amines, enabling selective reactions in multi-step organic syntheses. Researchers also employ this compound in the development of peptide mimetics and as a building block for heterocyclic frameworks in drug discovery.

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