3,5-Bis(methylthio)-4-isothiazolecarbonyl chloride

Base Information

• Chemical Name: 3,5-Bis(methylthio)-4-isothiazolecarbonyl chloride
• CAS No.: 4886-16-2
• Molecular Formula: C₆H₆ClNOS₃
• Molecular Weight: 239.771
• Hs Code.: 2934999090
• Mol file: 4886-16-2.mol

Synonyms:3,5-Bis(methylthio)-4-isothiazolecarbonyl chloride

Chemical Property of 3,5-Bis(methylthio)-4-isothiazolecarbonyl chloride

Chemical Property:

• Boiling Point: 246.5±40.0 °C(Predicted)
• PKA: 0.54±0.30(Predicted)
• PSA: 108.80000
• Density: 1.51±0.1 g/cm3(Predicted)
• LogP: 2.96590

Purity/Quality:

3,5-Bis(methylthio)-4-isothiazolecarbonylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3,5-Bis(methylthio)-4-isothiazolecarbonyl chloride

There total 4 articles about 3,5-Bis(methylthio)-4-isothiazolecarbonyl chloride 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:

3,5-bis(methylthio)isothiazole-4-carboxylic acid (4886-15-1) → 3,5-di(methylthio)isothiazol-4-ylcarbonyl chloride (4886-16-2)

Guidance literature:

With thionyl chloride; Heating;

DOI:10.1021/jo01026a034

Reference yield:

3,5-bis(methylthio)isothiazole-4-carboxamide (4886-14-0) → 3,5-di(methylthio)isothiazol-4-ylcarbonyl chloride (4886-16-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. H₂SO₄, aq. NaNO₂

2: SOCl₂ / Heating

With thionyl chloride; sulfuric acid; sodium nitrite;

DOI:10.1021/jo01026a034

Reference yield:

3,5-bis-methylsulfanyl-isothiazole-4-carbonitrile (4886-13-9) → 3,5-di(methylthio)isothiazol-4-ylcarbonyl chloride (4886-16-2)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂SO₄

2: aq. H₂SO₄, aq. NaNO₂

3: SOCl₂ / Heating

With thionyl chloride; sulfuric acid; sodium nitrite;

DOI:10.1021/jo01026a034

upstream raw materials:

3,5-bis(methylthio)isothiazole-4-carboxylic acid

3,5-bis(methylthio)isothiazole-4-carboxamide

3,5-bis-methylsulfanyl-isothiazole-4-carbonitrile

Downstream raw materials:

3,5-Bis-methylmercapto-isothiazol-4-carbonsaeure-ethylester

3,5-Bis-(methylthio)-4-N,N-dimethylcarbamyl-isothiazol

3,5-Bis-(methylthio)-isothiazol-4-carbonsaeure-isopropylester

3,5-Bis-(methylthio)-4-N-methylcarbamyl-isothiazol