3-Isothiazolecarboxylic acid

Base Information

• Chemical Name: 3-Isothiazolecarboxylic acid
• CAS No.: 4576-90-3
• Molecular Formula: C4H3NO2S
• Molecular Weight: 129.139
• Hs Code.: 2934999090
• Mol file: 4576-90-3.mol

Synonyms:Isothiazole-3-carboxylic acid;

Chemical Property of 3-Isothiazolecarboxylic acid

Chemical Property:

• Vapor Pressure: 0.65mmHg at 25°C
• Refractive Index: 1.617
• Boiling Point: 178.4 °C at 760 mmHg
• PKA: 1.08±0.10(Predicted)
• Flash Point: 61.7 °C
• PSA: 78.43000
• Density: 1.525 g/cm³
• LogP: 0.84130
• Storage Temp.: 2-8°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Isothiazolecarboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Isothiazolecarboxylic acid

Technology Process of 3-Isothiazolecarboxylic acid

There total 4 articles about 3-Isothiazolecarboxylic 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: 23.0%

3-methylisothiazole (693-92-5) → 3-isothiazolecarboxylic acid (4576-90-3)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; at 0 - 20 ℃; for 16h; Inert atmosphere;

Reference yield:

3-bromomethylisothiazole (4576-91-4) → 3-isothiazolecarboxylic acid (4576-90-3)

Guidance literature:

With potassium permanganate; sodium carbonate; In water; Heating;

DOI:10.1039/jr9650007274

Reference yield:

→ monohydrate calcium salt of 3-(3-trifluoromethylphenyl)-4-amino-5-isothiazolecarboxylic acid + 3-isothiazolecarboxylic acid (4576-90-3)

Guidance literature:

upstream raw materials:

3-methylisothiazole

3-bromomethylisothiazole

Downstream raw materials:

C₁₅H₁₅N₃O₂S

tert-butyl isothiazol-3-ylcarbamate

Refernces

• 1、 -. "(1,4-DIAZA-BICYCLO[3.2.2]NON-6-EN-4-YL)-HETEROCYCLYL-METHANONE LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, USEFUL FOR THE TREATMENT OF DISEASE". Page/Page column 66. . Retrieved 2009/05/30.