2-Amino-4,5-dimethylbenzoic acid

Base Information

• Chemical Name: 2-Amino-4,5-dimethylbenzoic acid
• CAS No.: 15089-51-7
• Molecular Formula: C9H11NO2
• Molecular Weight: 165.192
• Hs Code.: 2922499990
• European Community (EC) Number: 809-202-0
• NSC Number: 104996
• DSSTox Substance ID: DTXSID10295728
• Nikkaji Number: J81.821F
• Wikidata: Q82035833
• Mol file: 15089-51-7.mol

Synonyms:2-amino-4,5-dimethylbenzoic acid;15089-51-7;2-AMINO-4,5-DIMETHYL-BENZOIC ACID;4,5-dimethylanthranilic acid;Benzoic acid, 2-amino-4,5-dimethyl-;4,5-Dimethylanthanilic acid;4,5-Dimethyl-2-aminobenzoic acid;NSC104996;NCIOpen2_002111;SCHEMBL974647;2-amino-4,5-dimethylbenzoicacid;DTXSID10295728;REBBDMHTSKPGCO-UHFFFAOYSA-N;2-amino-4,5-dim-ethylbenzoic acid;MFCD00156998;AKOS006229285;DS-6552;NSC-104996;SB33803;CS-0114766;FT-0729284;EN300-88453;2-Amino-4,5-dimethyl-benzoic acid, AldrichCPR;A856827;Z1198151442

Chemical Property of 2-Amino-4,5-dimethylbenzoic acid

Chemical Property:

• Melting Point: 213-214 °C (decomp)
• Boiling Point: 341.656 °C at 760 mmHg
• PKA: 2.44±0.10(Predicted)
• Flash Point: 160.428 °C
• PSA: 63.32000
• Density: 1.208 g/cm³
• LogP: 2.16500
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2
• 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:

99% ^*data from raw suppliers

2-Amino-4,5-dimethylbenzoic Acid >97.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Amino-4,5-dimethylbenzoic acid

There total 14 articles about 2-Amino-4,5-dimethylbenzoic 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: 95.0%

6,7-dimethyl-1H-benzo[d][1,3]oxazine-2,4-dione (63920-72-9) → 2-amino-4,5-dimethylbenzoic acid (15089-51-7)

Guidance literature:

6,7-dimethyl-1H-benzo[d][1,3]oxazine-2,4-dione; With sodium hydroxide; In water; at 60 ℃; for 2h;

In water; for 0.5h; Reflux;

DOI:10.1021/jacs.5b13515

Reference yield: 84.0%

2-carbamoyl-4,5-dimethylbenzoic acid (676363-72-7) → 2-amino-4,5-dimethylbenzoic acid (15089-51-7)

Guidance literature:

With sodium hydroxide; sodium hypochlorite;

DOI:10.1021/jo035517i

Reference yield:

4,5-dimethyl-2-aminobenzonitrile (28568-03-8) → 2-amino-4,5-dimethylbenzoic acid (15089-51-7)

Guidance literature:

In hydrogenchloride;

upstream raw materials:

4,5-Dimethyl-2-nitrobenzoesaeure

2-chloro-4,5-dimethylbenzoic acid

2-carbamoyl-4,5-dimethylbenzoic acid

5,6-dimethylisoindoline-1,3-dione

Downstream raw materials:

2-(Ethoxyoxalyl-amino)-4,5-dimethyl-benzoic acid

methyl 2-amino-4,5-dimethylbenzoate

2-iodo-4,5-dimethylbenzaldehyde

(2-iodo-4,5-dimethylphenyl)methanol

Refernces

• 1、 Godinez, Carlos E.,Zepeda, Gerardo,Mortko, Christopher J.,Dang, Hung,Garcia-Garibay, Miguel A.. "Molecular Crystals with Moving Parts: Synthesis, Characterization, and Crystal Packing of Molecular Gyroscopes with Methyl-Substituted Triptycyl Frames". . p. 1652 - 1662. Retrieved 2007/10/03.
• 2、 -. "N-aryl(thio)anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors". . . Retrieved 2008/06/13.