2,6-Dichloro-4-(methylsulfonyl)aniline

Base Information

• Chemical Name: 2,6-Dichloro-4-(methylsulfonyl)aniline
• CAS No.: 80866-96-2
• Molecular Formula: C7H7Cl2NO2S
• Molecular Weight: 240.11
• Hs Code.: 2921420090
• European Community (EC) Number: 279-599-8
• DSSTox Substance ID: DTXSID201001601
• Nikkaji Number: J236.504I
• Wikidata: Q82995574
• Mol file: 80866-96-2.mol

Synonyms:2,6-Dichloro-4-(methylsulfonyl)aniline;80866-96-2;2,6-dichloro-4-methylsulfonylaniline;2,6-Dichloro-4-mesylaniline;EINECS 279-599-8;2,6-dichloro-4-(methylsulphonyl)aniline;2,6-dichloro-4-methanesulfonylaniline;Benzenamine, 2,6-dichloro-4-(methylsulfonyl)-;SCHEMBL1449764;DTXSID201001601;MFCD00007678;2,6-dichloro-4-methylsulfonyl-aniline;2,6-dichloro-4-methylsulphonylaniline;AKOS015850211;2,6-Dichloro-4-(methanesulfonyl)aniline;2,6-dichloro-4-(methyl sulfonyl)aniline;CS-0359011;FT-0676954;F71865;A839997;2,6-Dichloro-4-(methylsulfonyl)aniline, AldrichCPR

Chemical Property of 2,6-Dichloro-4-(methylsulfonyl)aniline

Chemical Property:

• Vapor Pressure: 4.37E-07mmHg at 25°C
• Melting Point: 155-158 °C
• Refractive Index: 1.594
• Boiling Point: 414.7 °C at 760 mmHg
• PKA: -2.54±0.10(Predicted)
• Flash Point: 204.6 °C
• PSA: 68.54000
• Density: 1.525 g/cm³
• LogP: 3.64110
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 238.9574550
• Heavy Atom Count: 13
• Complexity: 263

Purity/Quality:

97% ^*data from raw suppliers

2,6-Dichloro-4-(methylsulfonyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC(=C(C(=C1)Cl)N)Cl

Technology Process of 2,6-Dichloro-4-(methylsulfonyl)aniline

There total 1 articles about 2,6-Dichloro-4-(methylsulfonyl)aniline 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: 87.0%

4-methanesulfonylphenylamine (5470-49-5) → 2,6-dichloro-4-(methylsulfonyl)aniline (80866-96-2)

Guidance literature:

With 1-chloro-1λ³-benzo[d][1,2]iodaoxol-3(1H)-one; In N,N-dimethyl-formamide; at 20 ℃; for 12h; regioselective reaction;

DOI:10.1021/acs.orglett.6b00547

Reference yield: 74.8%

2,6-dichloro-4-(methylsulfonyl)aniline (80866-96-2) + sodium acetate trihydrate (6131-90-4) → [(2,6-(dichloro)-4-(methylsulfonyl)-phenyl)hydrazono]propanedinitrile (138555-65-4)

Guidance literature:

With sodium nitrite; In ethanol; sulfuric acid; water; acetic acid;

Reference yield: 64.0%

(R)-3,5-dichloro-1-(1-cyclopropylethyl)pyrazin-2(1H)-one (1173435-13-6) + 2,6-dichloro-4-(methylsulfonyl)aniline (80866-96-2) → (R)-5-chloro-1-(1-cyclopropylethyl)-3-(2,6-dichloro-4 (methylsulfonyl)phenylamino)pyrazin-2(1H)-one (1173435-67-0)

Guidance literature:

With palladium diacetate; potassium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In toluene; for 18h; Inert atmosphere; Reflux;

DOI:10.1021/jm900302q

upstream raw materials:

4-methanesulfonylphenylamine

Downstream raw materials:

1,3-dichloro-5-(methylsulfonyl)benzene

[(2,6-(dichloro)-4-(methylsulfonyl)-phenyl)hydrazono]propanedinitrile

(R)-5-chloro-1-(1-cyclopropylethyl)-3-(2,6-dichloro-4 (methylsulfonyl)phenylamino)pyrazin-2(1H)-one

[1-(4-azidopyridin-3-yl)meth-(E)-ylidene]-(2.6-dichloro-4-methanesulfonylphenyl)amine

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