Description

Methyl 4-amino-3-(tert-butyl)benzoate hydrochloride (CAS No. 2044702-89-6) is a high-purity benzoate derivative widely utilized in pharmaceutical and organic synthesis research. This compound, with the molecular formula C₁₂H₁₈ClNO₂, is characterized by its tert-butyl and amino functional groups, which enhance its reactivity and utility in complex chemical transformations. The hydrochloride salt form ensures improved stability and solubility, making it ideal for laboratory applications. Each batch undergoes rigorous QC testing, including HPLC, NMR, and mass spectrometry, to guarantee ≥98% purity. Suitable for use as an intermediate in drug discovery, this product is supplied as a white to off-white crystalline powder and should be stored in a cool, dry environment under inert conditions.

Properties

• CAS Number: 2044702-89-6
• Complexity: 232
• IUPAC Name: methyl 4-amino-3-tert-butyl-benzoate;hydrochloride
• InChI: InChI=1S/C12H17NO2.ClH/c1-12(2,3)9-7-8(11(14)15-4)5-6-10(9)13;/h5-7H,13H2,1-4H3;1H
• InChI Key: NAGQAJXQPQFSFT-UHFFFAOYSA-N
• Exact Mass: 243.1026065
• Molecular Formula: C12H18ClNO2
• Molecular Weight: 243.73
• SMILES: CC(C)(C)C1=C(C=CC(=C1)C(=O)OC)N.Cl
• Topological: 52.3
• Monoisotopic Mass: 243.1026065
• Synonyms: Methyl 4-amino-3-(tert-butyl)benzoate hydrochloride, 2044702-89-6, methyl 4-amino-3-tert-butylbenzoate;hydrochloride, MFCD30609550, AKOS030524161, DS-19650, CS-0163081, C73856, METHYL 4-AMINO-3-(TERT-BUTYL)BENZOATE HCL, Methyl4-amino-3-(tert-butyl)benzoatehydrochloride

Application

Methyl 4-amino-3-(tert-butyl)benzoate hydrochloride serves as a key intermediate in the synthesis of bioactive molecules, particularly in the development of pharmaceutical compounds targeting neurological and metabolic disorders. Its tert-butyl and amino groups facilitate selective modifications in peptide coupling and heterocyclic chemistry. Researchers also employ it in catalyst design and ligand synthesis for asymmetric reactions. The hydrochloride form enhances its compatibility with aqueous reaction conditions.

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.