3-amino-4,5-dimethyl-benzoic Acid

Base Information

• Chemical Name: 3-amino-4,5-dimethyl-benzoic Acid
• CAS No.: 348165-23-1
• Molecular Formula: C₉H₁₁NO₂
• Molecular Weight: 165.192
• DSSTox Substance ID: DTXSID20457875
• Wikidata: Q82280913

Synonyms:3-amino-4,5-dimethyl-benzoic Acid;3-amino-4,5-dimethylbenzoic acid;348165-23-1;SCHEMBL3252847;3-amino-4,5-dimethylbenzoicacid;DTXSID20457875;MFCD17011765;AKOS012321226;SB36760;BS-51673;CS-0323432;F77318

Chemical Property of 3-amino-4,5-dimethyl-benzoic Acid

Chemical Property:

• PSA: 63.32000
• LogP: 2.16500
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-4,5-dimethyl-benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1C)N)C(=O)O

Technology Process of 3-amino-4,5-dimethyl-benzoic Acid

There total 1 articles about 3-amino-4,5-dimethyl-benzoic Acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

3,4-dimethylbenzoic acid (619-04-5) → 4,5-Dimethyl-2-nitrobenzoesaeure (4315-14-4) + 2-amino-3,4-dimethylbenzoic acid (50419-58-4) + 3-amino-4,5-dimethylbenzoic acid (348165-23-1)

Guidance literature:

3,4-dimethylbenzoic acid; With nitric acid; at 0 ℃; for 10h;

With hydrogen; palladium on activated charcoal; In methanol; for 10h; under 2844.31 Torr;

DOI:10.1016/S0223-5234(02)01406-X

upstream raw materials:

3,4-dimethylbenzoic acid

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