4-(4,5-Dimethylthiazol-2-ylamino)benzoic acid

Base Information

• Chemical Name: 4-(4,5-Dimethylthiazol-2-ylamino)benzoic acid
• CAS No.: 100142-85-6
• Molecular Formula: C₁₂H₁₂N₂O₂S
• Molecular Weight: 248.305
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID80359285
• Wikidata: Q82140430
• Mol file: 100142-85-6.mol

Synonyms:4-(4,5-Dimethylthiazol-2-ylamino)benzoic acid;100142-85-6;4-[(4,5-DIMETHYL-1,3-THIAZOL-2-YL)AMINO]BENZOIC ACID;4-(4,5-Dimethylthiazol-2-ylamino)benzoicacid;4-((4,5-dimethylthiazol-2-yl)amino)benzoic acid;DTXSID80359285;AKOS008967822;MB03598;FT-0735804

Chemical Property of 4-(4,5-Dimethylthiazol-2-ylamino)benzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.673
• Boiling Point: 446.494°C at 760 mmHg
• Flash Point: 223.832°C
• PSA: 90.46000
• Density: 1.355g/cm³
• LogP: 3.27470
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 248.06194880
• Heavy Atom Count: 17
• Complexity: 280

Purity/Quality:

98%min ^*data from raw suppliers

4-(4,5-Dimethylthiazol-2-ylamino)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC(=N1)NC2=CC=C(C=C2)C(=O)O)C
• Uses: 4-(4,5-Dimethylthiazol-2-ylamino)benzoic acid is used in the preparation of 2-arylamino--4,5-dimethylthiazoles and 2-alkylamino-4,5-dimethylthiazoles.

Technology Process of 4-(4,5-Dimethylthiazol-2-ylamino)benzoic acid

There total 2 articles about 4-(4,5-Dimethylthiazol-2-ylamino)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:

p-aminobenzoic acid hydrochloride (22669-27-8) + 3-thiocyanobutan-2-one (57308-65-3) → 4-(4,5-dimethyl-thiazol-2-ylamino)-benzoic acid (100142-85-6)

Guidance literature:

With water;

DOI:10.1021/ja01135a043

Reference yield:

4-thioureidobenzoic acid (7366-56-5) + butanone (78-93-3) → 4-(4,5-dimethyl-thiazol-2-ylamino)-benzoic acid (100142-85-6)

Guidance literature:

With iodine;

upstream raw materials:

p-aminobenzoic acid hydrochloride

3-thiocyanobutan-2-one

4-thioureidobenzoic acid

butanone