1,3-Thiazole-4-carboxylic acid

Base Information

• Chemical Name: 1,3-Thiazole-4-carboxylic acid
• CAS No.: 3973-08-8
• Molecular Formula: C4H3NO2S
• Molecular Weight: 129.139
• Hs Code.: 29341000
• European Community (EC) Number: 628-056-7
• NSC Number: 195467
• UNII: UE1ZOP7MLZ
• DSSTox Substance ID: DTXSID30307857
• Nikkaji Number: J138.315I
• Wikidata: Q27094350
• Metabolomics Workbench ID: 147941
• ChEMBL ID: CHEMBL1236484
• Mol file: 3973-08-8.mol

Synonyms:Thiazole-4-carboxylic acid;4-Thiazolecarboxylic acid;3973-08-8;1,3-THIAZOLE-4-CARBOXYLIC ACID;UE1ZOP7MLZ;4-thiazole carboxylic acid;UNII-UE1ZOP7MLZ;MFCD00623589;NSC 195467;NSC-195467;4-Thiazolecarboxylicacid;4-CARBOXYTHIAZOLE;thiazole 4-carboxylic acid;SCHEMBL165337;CHEMBL1236484;4-Thiazolecarboxylic acid, 97%;DTXSID30307857;HMVYYTRDXNKRBQ-UHFFFAOYSA-N;BCP27391;GEO-03751;NSC195467;AKOS000672991;AB06561;CS-W009228;DB03422;PS-5988;AC-25608;BP-12724;HY-59320;PD007002;SY015498;AM20100047;BB 0260262;FT-0619520;T2494;EN300-67411;AN-604/40744409;A1-00330;W-200586;Q27094350;F2173-0027;Z800222638;1,3-thiazole-4-carboxylic acid

Chemical Property of 1,3-Thiazole-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000143mmHg at 25°C
• Melting Point: 195-199 °C(lit.)
• Boiling Point: 319.2 °C at 760 mmHg
• PKA: 3.57±0.10(Predicted)
• Flash Point: 146.9 °C
• PSA: 78.43000
• Density: 1.525 g/cm³
• LogP: 0.84130
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 128.98844951
• Heavy Atom Count: 8
• Complexity: 106

Purity/Quality:

98% ^*data from raw suppliers

4-Thiazolecarboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(N=CS1)C(=O)O
• Uses: 4-Thiazolecarboxylic Acid (cas# 3973-08-8) is a compound useful in organic synthesis.

Technology Process of 1,3-Thiazole-4-carboxylic acid

There total 17 articles about 1,3-Thiazole-4-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: 96.1%

4-thiazolecarboxylate methyl ester (59418-09-6) → Thiazole-4-carboxylic acid (3973-08-8)

Guidance literature:

With sodium hydroxide; for 1h; Reflux;

Reference yield: 94.0%

ethyl Bromopyruvate (70-23-5) + thiourea (17356-08-0) → Thiazole-4-carboxylic acid (3973-08-8)

Guidance literature:

ethyl Bromopyruvate; thiourea; In water; at 40 ℃; for 5h;

With hydrogenchloride; sodium nitrite; In water; for 2h; Temperature; Concentration;

Reference yield: 80.0%

4-Methylthiazole (693-95-8) → Thiazole-4-carboxylic acid (3973-08-8)

Guidance literature:

at 30 ℃; for 16h; Pseudomonas putida ATCC 33015;

upstream raw materials:

1,2,3,4-tetrahydroisoquinoline

thiazole-4,5-dicarboxylic acid

ethyl 2-bromothiazole-4-carboxylate

2-propionyl-thiazole-4-carboxylic acid

Downstream raw materials:

4-thiazolecarboxylate methyl ester

1,3-thiazole-4-carbonyl chloride

5-chloro-2-(thiazol-4-yl)-1H-benzoimidazole

C₁₅H₁₈N₄O₃S

Refernces

• 1、 Ferreira, Marta,Kuzniarska-Biernacka, Iwona,Fonseca, António M.,Neves, Isabel C.,Soares, Olívia S.G.P.,Pereira, Manuel F.R.,Figueiredo, José L.,Parpot, Pier. "Electrochemical oxidation of amoxicillin on carbon nanotubes and carbon nanotube supported metal modified electrodes". . p. 322 - 331. Retrieved 2019/07/10.
• 2、 -. "A process for the preparation method of thiabendazole". Paragraph 0063; 0076; 0081; 0088; 0089; 0102. . Retrieved 2018/04/01.