3-Methylthiophene-2-sulfonyl chloride

Base Information

• Chemical Name: 3-Methylthiophene-2-sulfonyl chloride
• CAS No.: 61714-76-9
• Molecular Formula: C₅H₅ClO₂S₂
• Molecular Weight: 196.678
• Hs Code.: 2934999090
• European Community (EC) Number: 825-147-5
• DSSTox Substance ID: DTXSID40540455
• Nikkaji Number: J150.893H
• Wikidata: Q82416476
• Mol file: 61714-76-9.mol

Synonyms:3-methylthiophene-2-sulfonyl chloride;61714-76-9;3-METHYL-2-THIOPHENESULFONYL CHLORIDE;2-Thiophenesulfonyl chloride, 3-methyl-;SCHEMBL2459334;DTXSID40540455;RXFIISJOFYQYKK-UHFFFAOYSA-N;3-methyl-2-thienylsulfonyl chloride;3-methylthiophene-2-sulfonylchloride;MFCD09864262;2-Thiophenesulfonylchloride,3-methyl-;AKOS010867519;3-methyl-thiophene-2-sulfonyl chloride;AM804139;BS-29045;3-METHYL-2-THIOPHENESULFONYLCHLORIDE;CS-0037377;EN300-85700;F1902-0045;Z837063682

Chemical Property of 3-Methylthiophene-2-sulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.006mmHg at 25°C
• Refractive Index: 1.569
• Boiling Point: 280.999 °C at 760 mmHg
• Flash Point: 123.744 °C
• PSA: 70.76000
• Density: 1.492 g/cm³
• LogP: 3.06480
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 195.9419494
• Heavy Atom Count: 10
• Complexity: 206

Purity/Quality:

99%min ^*data from raw suppliers

3-Methylthiophene-2-sulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC=C1)S(=O)(=O)Cl

Technology Process of 3-Methylthiophene-2-sulfonyl chloride

There total 1 articles about 3-Methylthiophene-2-sulfonyl 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-Methylthiophene (616-44-4,84928-92-7) → 3-Methyl-thien-2-ylsulfonyl chloride (61714-76-9)

Guidance literature:

With chlorosulphuric acid; Erhitzen des Natrium-Salzes der gebildeten Sulfonsaeure mit Phosphor(V)-chlorid;

DOI:10.1080/01926180390201945

Reference yield:

3-Methyl-thien-2-ylsulfonyl chloride (61714-76-9) → N-[[(4-chlorophenyl)amino]carbonyl]-3-methyl-2-thiophenesulfonamide (140646-46-4)

Guidance literature:

Multi-step reaction with 2 steps

1: conc. NH₄OH / CHCl₃ / 0.5 h / Ambient temperature

2: 1 N aq. NaOH / acetone / Ambient temperature

With ammonium hydroxide; sodium hydroxide; In chloroform; acetone;

DOI:10.1021/jm00094a013

Reference yield:

3-Methyl-thien-2-ylsulfonyl chloride (61714-76-9) → 3-methyl-2-thiophenesulfonamide (81417-51-8)

Guidance literature:

With ammonium hydroxide;

DOI:10.1080/01926180390201945

upstream raw materials:

3-Methylthiophene

Downstream raw materials:

3-methyl-2-thiophenesulfonamide

N-[[(4-chlorophenyl)amino]carbonyl]-3-methyl-2-thiophenesulfonamide

Refernces

• 1、 -. "Quinazolinone Compound and Application Thereof". Paragraph 0285-0287. . Retrieved 2020/11/27.