N-[2,6-di(propan-2-yl)phenyl]-4-methylbenzenesulfonamide

Base Information

• Chemical Name: N-[2,6-di(propan-2-yl)phenyl]-4-methylbenzenesulfonamide
• CAS No.: 163704-71-0
• Molecular Formula: C19H25 N O2 S
• Molecular Weight: 331.479
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID60356893
• Wikidata: Q82136524
• Mol file: 163704-71-0.mol

Synonyms:163704-71-0;N-[2,6-di(propan-2-yl)phenyl]-4-methylbenzenesulfonamide;N-(2,6-diisopropylphenyl)-4-methylbenzenesulfonamide;1-(4-Toluenensulfonylamino)-2,6-diisopropylbenzene;SCHEMBL9164476;DTXSID60356893;AKOS003859712;N-(2, 6-diisopropylphenyl)-p-toluenesulfonamide;AN-652/40942821;N-[2,6-bis(propan-2-yl)phenyl]-4-methylbenzene-1-sulfonamide;N-[2,6-Di(propan-2-yl)phenyl]-4-methylbenzene-1-sulfonamide

Chemical Property of N-[2,6-di(propan-2-yl)phenyl]-4-methylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 9.29E-08mmHg at 25°C
• Boiling Point: 434.7°Cat760mmHg
• Flash Point: 216.7°C
• PSA: 54.55000
• Density: 1.123g/cm³
• LogP: 6.19640
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 331.16060021
• Heavy Atom Count: 23
• Complexity: 442

Purity/Quality:

98% ^*data from raw suppliers

1-(4-TOLUENENSULFONYLAMINO)-2,6-DIISOPROPYLBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC=C2C(C)C)C(C)C

Technology Process of N-[2,6-di(propan-2-yl)phenyl]-4-methylbenzenesulfonamide

There total 1 articles about N-[2,6-di(propan-2-yl)phenyl]-4-methylbenzenesulfonamide 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: 79.0%

2,6-diisopropylbenzenamine (24544-04-5) + p-toluenesulfonyl chloride (98-59-9) → N-(2,6-diisopropylphenyl)tosylamide (163704-71-0)

Guidance literature:

With pyridine; for 4h; Reflux;

Reference yield: 100.0%

[(2,6-(i-Pr)2C6H3N(SO2-p-MeC6H4))AlEt2]2 (936258-60-5) + N-(2,6-diisopropylphenyl)tosylamide (163704-71-0) → [(2,6-(i-Pr)2C6H3N(SO2-p-MeC6H4))2AlEt]

Guidance literature:

In toluene; byproducts: ethane; (Ar); Schlenk or glovebox technique; mixt. of Al complex and ligand (1 equiv.) in toluene was stirred at room temp. for 24 h; volatiles removed (vac.); crystd. (toluene, room temp.); elem. anal.;

DOI:10.1021/om0611296

Reference yield: 99.0%

Trichloroethylene (79-01-6) + N-(2,6-diisopropylphenyl)tosylamide (163704-71-0) → (E)-N-(1,2-dichlorovinyl)-N-(2,6-diisopropylphenyl)-4-methylbenzenesulfonamide

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 50 ℃;

DOI:10.1039/c4cc07876d

upstream raw materials:

2,6-diisopropylbenzenamine

p-toluenesulfonyl chloride

Downstream raw materials:

N-(2,6-diisopropyl-4-nitrophenyl)-4-methylbenzenesulfonamide

4-nitro-2,6-diisopropyl aniline

N-tosyl-4-amino-2,6-diisopropyl aniline

[(2,6-(i-Pr)2C₆H₃N(SO₂-p-MeC₆H₄))AlI₂]2