2,4-Dimethylthiazole-5-carboxylic acid

Base Information

• Chemical Name: 2,4-Dimethylthiazole-5-carboxylic acid
• CAS No.: 53137-27-2
• Molecular Formula: C6H7NO2S
• Molecular Weight: 157.193
• Hs Code.: 29341000
• European Community (EC) Number: 673-118-9
• DSSTox Substance ID: DTXSID30353036
• Wikidata: Q72472181
• ChEMBL ID: CHEMBL1574902
• Mol file: 53137-27-2.mol

Synonyms:2,4-Dimethylthiazole-5-carboxylic acid;53137-27-2;2,4-Dimethyl-1,3-thiazole-5-carboxylic acid;dimethyl-1,3-thiazole-5-carboxylic acid;5-thiazolecarboxylic acid, 2,4-dimethyl-;MFCD00052943;2,4-dimethyl-5-thiazolecarboxylic acid;2,4-Dimethyl-thiazole-5-carboxylic acid;MLS000703159;SCHEMBL286332;5-Carboxy-2,4-dimethylthiazole;CHEMBL1574902;DTXSID30353036;CHEBI:194729;MQGBARXPCXAFRZ-UHFFFAOYSA-N;HMS2742A21;STK727024;2,4-dimethylthiazol-5-carboxylic acid;2,4-dimethylthiazole-5carboxylic acid;AKOS000268956;AC-7476;CS-W002255;DS-1642;FS-1481;PD021457;SMR000273623;SY013882;2,4dimethyl-1,3-thiazole-5-carboxylic acid;A7736;AM20100304;BB 0238154;D4813;FT-0610152;EN300-10372;2,4-Dimethylthiazole-5-carboxylic acid, 97%;J-507248;Z56347315;F0804-1564

Chemical Property of 2,4-Dimethylthiazole-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000342mmHg at 25°C
• Melting Point: 235 °C (dec.)
• Boiling Point: 306.158 °C at 760 mmHg
• Flash Point: 138.96 °C
• PSA: 78.43000
• Density: 1.341 g/cm³
• LogP: 1.45810
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 157.01974964
• Heavy Atom Count: 10
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

2,4-Dimethylthiazole-5-carboxylic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC(=N1)C)C(=O)O
• Uses: 2,4-Dimethylthiazole-5-carboxylic acid is a highly functionalized and biased thiazole used for drug discovery. It is used as a heterocyclic building block to specifically modify lead compounds.

Technology Process of 2,4-Dimethylthiazole-5-carboxylic acid

There total 5 articles about 2,4-Dimethylthiazole-5-carboxylic 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: 90.0%

ethyl 2,4-dimethyl-1,3-thiazole-5-carboxylate (7210-77-7) → 2,4-dimethyl-thiazole-5-carboxylic acid (53137-27-2)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 4h; Reflux;

DOI:10.1016/j.ejmech.2019.07.002

Reference yield:

2,4-dimethyl-thiazole-5-carboxylic acid methyl ester; hydrochloride → 2,4-dimethyl-thiazole-5-carboxylic acid (53137-27-2)

Guidance literature:

With sodium hydroxide; at 20 ℃;

DOI:10.1021/jm990005a

Reference yield:

5-bromo-2,4-dimethyl-1,3-thiazole (28599-52-2) → 2,4-dimethyl-thiazole-5-carboxylic acid (53137-27-2)

Guidance literature:

With ethanol; phenyllithium; Behandeln des Reaktionsgemisches mit CO₂;

upstream raw materials:

5-bromo-2,4-dimethyl-1,3-thiazole

ethyl 2,4-dimethyl-1,3-thiazole-5-carboxylate

Downstream raw materials:

N-[3-(2-hydroxyethyl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

2,4-dimethyl-thiazole-5-carboxylic acid {4-[3-cyclopropylmethyl-1-(2-fluorobenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-methyl-amide

N-[2-chloro-5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C₁₆H₁₇ClN₂O₃S