1-[[2,4,6-Tris(isopropyl)phenyl]sulphonyl]-1H-1,2,4-triazole

Base Information

• Chemical Name: 1-[[2,4,6-Tris(isopropyl)phenyl]sulphonyl]-1H-1,2,4-triazole
• CAS No.: 54230-60-3
• Molecular Formula: C17H25N3O2S
• Molecular Weight: 335.47
• Hs Code.: 29339900
• European Community (EC) Number: 259-035-7
• DSSTox Substance ID: DTXSID20202584
• Nikkaji Number: J266.832G
• Wikidata: Q72515223
• Mol file: 54230-60-3.mol

Synonyms:54230-60-3;1-[[2,4,6-Tris(isopropyl)phenyl]sulphonyl]-1H-1,2,4-triazole;1-((2,4,6-Triisopropylphenyl)sulfonyl)-1H-1,2,4-triazole;1-(2,4,6-TRIISOPROPYLBENZENESULFONYL)-1,2,4-TRIAZOLE;1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-1,2,4-triazole;C17H25N3O2S;1-((2,4,6-Triisopropylphenyl)-sulfonyl)-1H-1,2,4-triazole;1-((2,4,6-Tris(isopropyl)phenyl)sulphonyl)-1H-1,2,4-triazole;EINECS 259-035-7;1-(2,4,6-Triisopropylphenylsulfonyl)-1,2,4-triazole;1H-1,2,4-Triazole, 1-[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]-;MFCD00014089;TPST, 2,4,6-Triisopropylbenzenesulfonyl-1H-1,2,4-triazole;SCHEMBL5686154;DTXSID20202584;AKOS015900691;CS-W013928;AC-24889;AS-11375;FT-0605477;T2951;C93490;A830048;J-502808;1-(2,4,6-Triisopropylbenzenesulphonyl)-1,2,4-triazole;1-(2,4,6-triisopropylphenylsulfonyl)-1H-1,2,4-triazole;1-[[2,4,6-Tris(1-methylethyl)phenyl]sulfonyl]-1H-1,2,4-triazole;1-[2,4,6-tris(propan-2-yl)benzenesulfonyl]-1H-1,2,4-triazole;1-(2,4,6-triisopropylphenyl)sulfonyl-1,2,4-triazole

Chemical Property of 1-[[2,4,6-Tris(isopropyl)phenyl]sulphonyl]-1H-1,2,4-triazole

Chemical Property:

• Vapor Pressure: 2.34E-08mmHg at 25°C
• Melting Point: 111-114 °C
• Refractive Index: 1.578
• Boiling Point: 451.9 °C at 760 mmHg
• PKA: -1.13±0.11(Predicted)
• Flash Point: 227.1 °C
• PSA: 73.23000
• Density: 1.17 g/cm³
• LogP: 4.96610
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 335.16674822
• Heavy Atom Count: 23
• Complexity: 467

Purity/Quality:

98% ^*data from raw suppliers

1-(2,4,6-Triisopropylbenzenesulfonyl)-1,2,4-triazole >98.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2C=NC=N2)C(C)C

Technology Process of 1-[[2,4,6-Tris(isopropyl)phenyl]sulphonyl]-1H-1,2,4-triazole

There total 2 articles about 1-[[2,4,6-Tris(isopropyl)phenyl]sulphonyl]-1H-1,2,4-triazole 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: 100.0%

2,4,6-triisopropylphenylsulfonyl chloride (6553-96-4) + 1-trimethylsilyl-1,2,4-triazole (18293-54-4) → 1-(2,4,6-triisopropylphenylsulfonyl)-1H-1,2,4-triazole (54230-60-3)

Guidance literature:

In dichloromethane; for 1h; Ambient temperature;

Reference yield:

→ 1-(2,4,6-triisopropylphenylsulfonyl)-1H-1,2,4-triazole (54230-60-3)

Guidance literature:

Triisopropylbenzolsulfonylchlorid, (1H)-1,2,4-Triazol, Triethylamin;

DOI:10.1021/ja00858a021

upstream raw materials:

2,4,6-triisopropylphenylsulfonyl chloride

1-trimethylsilyl-1,2,4-triazole