methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate
$300.00
CAS No.: 57113-90-3
Catalog No.: LT0215
Purity: 95%
MF: C13H16N2O6
MW: 296.279
Storage: 2-8 degree Celsius
SMILES: C(C)(C)(C)OC(=O)NC1=C(C(=O)OC)C=CC=C1[N+](=O)[O-]
Catalog No.: LT0215
Purity: 95%
MF: C13H16N2O6
MW: 296.279
Storage: 2-8 degree Celsius
SMILES: C(C)(C)(C)OC(=O)NC1=C(C(=O)OC)C=CC=C1[N+](=O)[O-]
CAS NO.: 57113-90-3;methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate. PROPERTIES: This Boc-protected nitrobenzoate presents as a white crystalline solid with a molecular weight of approximately 297.3 g/mol. The methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate combines Boc protection with a nitrobenzoate ester. It exhibits limited aqueous solubility until pH < 3 but dissolves well in DMSO and DMF. Stability characterization reveals sensitivity to acid-catalyzed Boc-deprotection and base-promoted hydrolysis of the ester group, necessitating storage at 2-8 degree Celsius in sealed glass containers. Handlers should use powder hoods with HEPA filtration and wear cut-resistant gloves during handling. Skin contact may cause localized edema requiring corticosteroid application. Inhalation may induce respiratory alkalosis; treatment includes humidified oxygen administration. Eye exposure requires chelation inhibitors and ophthalmology evaluation. Waste should be hydrolyzed with dilute acid prior to disposal. APPLICATIONS: The methyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate serves as a key intermediate in the synthesis of various pharmaceuticals. Its nitrobenzoate framework provides opportunities for reduction to aniline derivatives and directed metalation. Research teams utilize this compound as a starting material for creating kinase inhibitors and serotonin receptor modulators. The Boc-protected amine allows for orthogonal protection strategies in solid-phase peptide synthesis. Additionally, it serves as a building block for creating GABA receptor modulators with enhanced subtype selectivity and fluorescent probes for bioimaging applications.
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