Description

2-Amino-4,5-dimethylbenzoic acid (CAS No. 15089-51-7) is a high-purity organic compound with the molecular formula C₉H₁₁NO₂. This aromatic carboxylic acid derivative features an amino group and two methyl substituents on the benzene ring, making it a valuable intermediate in pharmaceutical synthesis and organic chemistry research. With a molecular weight of 165.19 g/mol, this white to off-white crystalline powder offers excellent solubility in polar organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO). Our product is rigorously tested to ensure ≥98% purity by HPLC analysis, making it suitable for demanding research applications. Each batch is accompanied by comprehensive analytical data including ¹H NMR, ¹³C NMR, and mass spectrometry verification. Packaged under inert atmosphere to ensure stability, this compound is ideal for use in medicinal chemistry, heterocyclic compound synthesis, and as a building block for more complex molecular architectures.

Properties

• CAS Number: 15089-51-7
• Complexity: 181
• IUPAC Name: 2-amino-4,5-dimethyl-benzoic acid
• InChI: InChI=1S/C9H11NO2/c1-5-3-7(9(11)12)8(10)4-6(5)2/h3-4H,10H2,1-2H3,(H,11,12)
• InChI Key: REBBDMHTSKPGCO-UHFFFAOYSA-N
• Exact Mass: 165.078978594
• Molecular Formula: C9H11NO2
• Molecular Weight: 165.19
• SMILES: CC1=CC(=C(C=C1C)N)C(=O)O
• Topological: 63.3
• Monoisotopic Mass: 165.078978594
• Synonyms: 2-amino-4,5-dimethylbenzoic acid, DTXSID10295728, DTXCID60246866, 809-202-0, 15089-51-7, Benzoic acid, 2-amino-4,5-dimethyl-, 2-AMINO-4,5-DIMETHYL-BENZOIC ACID, 4,5-dimethylanthranilic acid, 4,5-Dimethylanthanilic acid, 4,5-Dimethyl-2-aminobenzoic acid, MFCD00156998, NSC104996, NCIOpen2_002111, SCHEMBL974647, 2-amino-4,5-dimethylbenzoicacid, REBBDMHTSKPGCO-UHFFFAOYSA-N, 2-amino-4,5-dim-ethylbenzoic acid, AKOS006229285, DS-6552, NSC-104996, SB33803, DB-063873, A2850, CS-0114766, EN300-88453, Z1198151442

Application

2-Amino-4,5-dimethylbenzoic acid serves as a key precursor in the synthesis of various pharmaceutical compounds, particularly those with benzodiazepine or quinazoline scaffolds. Researchers utilize this compound in the development of novel therapeutic agents due to its versatile reactive sites for further functionalization. The molecule finds application in materials science as a monomer for specialty polymers with unique electronic properties. Its structural features make it valuable for studying structure-activity relationships in medicinal chemistry programs.

Safety and Hazards

GHS Hazard Statements

• H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

Hazard Classes and Categories

• Acute Tox. 4 (97.5%)
• Eye Irrit. 2A (100%)

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.