Description

Tert-butyl (2-isopropylphenyl)carbamate (CAS No. 406720-50-1) is a high-purity organic compound with the molecular formula C₁₄H₂₁NO₂. This carbamate derivative features a tert-butyloxycarbonyl (Boc) protecting group attached to the nitrogen of a 2-isopropylphenyl moiety, making it a valuable intermediate in organic synthesis and pharmaceutical research. The compound is characterized by its excellent stability under neutral and basic conditions, allowing for versatile applications in peptide synthesis, medicinal chemistry, and material science. Available in various quantities, our product is rigorously tested for purity (typically ≥95% by HPLC or GC analysis) and is supplied with comprehensive analytical data, including ¹H NMR, ¹³C NMR, and mass spectrometry reports. Proper storage under inert conditions (2-8°C in a sealed, moisture-free environment) is recommended to ensure long-term stability.

Properties

• CAS Number: 406720-50-1
• Complexity: 255
• IUPAC Name: tert-butyl N-(2-isopropylphenyl)carbamate
• InChI: InChI=1S/C14H21NO2/c1-10(2)11-8-6-7-9-12(11)15-13(16)17-14(3,4)5/h6-10H,1-5H3,(H,15,16)
• InChI Key: ADEKCADSDDETBB-UHFFFAOYSA-N
• Exact Mass: 235.157228913
• Molecular Formula: C14H21NO2
• Molecular Weight: 235.32
• SMILES: CC(C)C1=CC=CC=C1NC(=O)OC(C)(C)C
• Topological: 38.3
• Monoisotopic Mass: 235.157228913
• Synonyms: tert-butyl (2-isopropylphenyl)carbamate, 406720-50-1, SCHEMBL2737224, AKOS000502739, ST45050389, G71535, (tert-butoxy)-N-[2-(methylethyl)phenyl]carboxamide

Application

Tert-butyl (2-isopropylphenyl)carbamate serves as a key Boc-protected intermediate in the synthesis of bioactive molecules, particularly in the development of protease inhibitors and kinase modulators. Its sterically hindered structure is useful for ortho-substituted aromatic scaffold construction in drug discovery programs. Researchers also employ this compound in asymmetric catalysis studies due to its chiral environment. The carbamate functionality allows for clean deprotection under acidic conditions, making it valuable for sequential synthetic strategies in complex molecule assembly.

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