2-Chloro-6-methylbenzenesulfonyl chloride

Base Information

• Chemical Name: 2-Chloro-6-methylbenzenesulfonyl chloride
• CAS No.: 25300-37-2
• Molecular Formula: C7H6Cl2O2S
• Molecular Weight: 225.095
• Hs Code.: 2904909090
• European Community (EC) Number: 675-421-1
• DSSTox Substance ID: DTXSID70577476
• Wikidata: Q82467502
• Mol file: 25300-37-2.mol

Synonyms:2-Chloro-6-methylbenzenesulfonyl chloride;25300-37-2;2-chloro-6-methylbenzene-1-sulfonyl chloride;2-chloro-6-methyl-benzenesulfonyl chloride;SCHEMBL154899;DTXSID70577476;GEO-00708;MFCD00051767;AKOS005257593;4K-616S;BP-10945;2-chloro-6-methylbenzene sulfonyl chloride;2-chloro-6-methylbenzene-sulfonyl chloride;2-chloro-6-methylbenzenesulphonyl chloride;2-chloro-6-methylbenzene-1-sulfonylchloride;CS-0153689;EN300-98103;2-Chloro-6-methylbenzenesulfonyl chloride, AldrichCPR

Chemical Property of 2-Chloro-6-methylbenzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.5810
• Boiling Point: 132-134oC 0,5mm
• Flash Point: 132-134°C/0.5mm
• PSA: 42.52000
• Density: 1.459g/cm3
• LogP: 3.65670
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 223.9465560
• Heavy Atom Count: 12
• Complexity: 245

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-6-methylbenzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-34-36/37
• Safety Statements: 26-27-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)Cl)S(=O)(=O)Cl
• Uses: 6-Chloro-2-methylbenzenesulfonyl Chloride is a useful reagent in the synthesis of dihydropyridonesulfonamides. These compounds are exhibit Thrombin and Trypsin inhibitory activity.

Technology Process of 2-Chloro-6-methylbenzenesulfonyl chloride

There total 1 articles about 2-Chloro-6-methylbenzenesulfonyl 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:

→ 2-chloro-6-methylbenzenesulfonyl chloride (25300-37-2)

Guidance literature:

2-Chlor-6-methyl-anilin;

Reference yield: 93.0%

4-(piperidin-2-yl)butanoic acid methyl ester hydrochloride (1187963-89-8) + 2-chloro-6-methylbenzenesulfonyl chloride (25300-37-2) → 4-(1-(2-Chloro-6-methylphenylsulfonyl)piperidin-2-yl)butanoic acid methyl ester (1187963-92-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; Product distribution / selectivity;

Reference yield: 92.0%

methyl (S)-2-((t-butoxy)carbonylamino)-3-((2,4,8-triaza-2-methyl-1-oxo-4-phenylspiro [4.5]dec-8-yl)carbonylamino)propanoate (607366-03-0) + 2-chloro-6-methylbenzenesulfonyl chloride (25300-37-2) → methyl (S)-2-(((2-chloro-6-methylphenyl)sulfonyl)amino)-3-((2,4,8-triaza-2-methyl-1-oxo-4-phenylspiro[4.5]dec-8-yl)carbonylamino)propanoate

Guidance literature:

methyl (S)-2-((t-butoxy)carbonylamino)-3-((2,4,8-triaza-2-methyl-1-oxo-4-phenylspiro [4.5]dec-8-yl)carbonylamino)propanoate; With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 5h;

2-chloro-6-methylbenzenesulfonyl chloride; With triethylamine; In dichloromethane; at 20 ℃;

Downstream raw materials:

O-isopropyl P-ethyl[[(2-methylphenyl)sulfonyloxy]methyl]phosphinate

1-[(2-chloro-6-methylphenyl)sulfonyl]-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole trifluoroacetate

Refernces