Description

Tert-butyl 3-nitrophenylcarbamate (CAS No. 18437-64-4) is a high-purity organic compound with the molecular formula C₁₁H₁₄N₂O₄. This carbamate derivative features a tert-butyl group and a 3-nitrophenyl moiety, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. Its IUPAC name is tert-butyl N-(3-nitrophenyl)carbamate, and it is characterized by its crystalline solid form, stability under standard conditions, and compatibility with various organic solvents. Ideal for researchers and scientists, this compound is rigorously tested for purity and consistency, ensuring reliable performance in complex reactions such as peptide coupling, protecting group strategies, and nitro-group transformations. Available in scalable quantities with detailed analytical data (HPLC, NMR, MS) for quality assurance.

Properties

• CAS Number: 18437-64-4
• Complexity: 293
• IUPAC Name: tert-butyl N-(3-nitrophenyl)carbamate
• InChI: InChI=1S/C11H14N2O4/c1-11(2,3)17-10(14)12-8-5-4-6-9(7-8)13(15)16/h4-7H,1-3H3,(H,12,14)
• InChI Key: PGDQPYRGGSHYIT-UHFFFAOYSA-N
• Exact Mass: 238.09535693
• Molecular Formula: C11H14N2O4
• Molecular Weight: 238.24
• SMILES: CC(C)(C)OC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]
• Topological: 84.2
• Monoisotopic Mass: 238.09535693
• Synonyms: tert-butyl 3-nitrophenylcarbamate, 18437-64-4, Tert-butyl N-(3-nitrophenyl)carbamate, tert-butyl (3-nitrophenyl)carbamate, tertbutyl 3-nitrophenylcarbamate, tert-butyl(3-nitrophenyl)carbamate, MFCD01006652, N-Boc-3-nitroaniline, SCHEMBL3222110, SCHEMBL21268431, SCHEMBL27935975, SCHEMBL28019544, DTXSID20441113, PGDQPYRGGSHYIT-UHFFFAOYSA-N, AB8805, AKOS014476554, AS-44917, DA-43441, (3-nitro-phenyl)-carbamic acid tert-butyl ester, EN300-6498914

Application

Tert-butyl 3-nitrophenylcarbamate is widely used as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty materials. It serves as a protective group for amines in peptide chemistry, enabling selective reactions in multi-step syntheses. The nitro group offers further functionalization potential, such as reduction to aniline derivatives or participation in cross-coupling reactions. Researchers also employ it in the development of enzyme inhibitors and bioactive molecules due to its structural versatility.

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