ISOTHIAZOLE-5-CARBOXYLIC ACID METHYL ESTER

Base Information

• Chemical Name: ISOTHIAZOLE-5-CARBOXYLIC ACID METHYL ESTER
• CAS No.: 15901-66-3
• Molecular Formula: C₅H₅NO₂S
• Molecular Weight: 143.166
• Hs Code.: 2934999090
• Mol file: 15901-66-3.mol

Synonyms:Methyl isothiazole-5-carboxylate;Methyl 1,2-thiazole-5-carboxylate;

Chemical Property of ISOTHIAZOLE-5-CARBOXYLIC ACID METHYL ESTER

Chemical Property:

• Vapor Pressure: 3.73mmHg at 25°C
• Refractive Index: 1.539
• Boiling Point: 151.1 °C at 760 mmHg
• Flash Point: 45.2 °C
• PSA: 67.43000
• Density: 1.301 g/cm³
• LogP: 0.92970
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C

Purity/Quality:

98%min ^*data from raw suppliers

Isothiazole-5-carboxylicacidmethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: Xi
• Statements: 36/37/38-41
• Safety Statements: 26-36/37/39-39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ISOTHIAZOLE-5-CARBOXYLIC ACID METHYL ESTER

There total 1 articles about ISOTHIAZOLE-5-CARBOXYLIC ACID METHYL ESTER 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: 86.0%

isothiazol (288-16-4) + carbon dioxide (124-38-9,18923-20-1) + methyl iodide (74-88-4) → methyl isothiazole-5-carboxylate (15901-66-3)

Guidance literature:

carbon dioxide; With AuOH(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene); potassium hydroxide; In tetrahydrofuran; at 20 ℃; for 0.25h; under 1125.11 Torr;

isothiazol; In tetrahydrofuran; at 20 ℃; for 12h; under 1125.11 Torr;

methyl iodide; In tetrahydrofuran; regioselective reaction;

DOI:10.1021/ja103429q

Reference yield: 76.0%

methyl isothiazole-5-carboxylate (15901-66-3) → isothiazole-5-carboxylic acid (10271-85-9)

Guidance literature:

methyl isothiazole-5-carboxylate; With methanol; sodium hydroxide; water; In tetrahydrofuran; at 20 ℃; for 16h;

With hydrogenchloride; In tetrahydrofuran; water; pH=2;

upstream raw materials:

isothiazol

carbon dioxide

methyl iodide

Downstream raw materials:

isothiazole-5-carboxylic acid

Refernces