1-((2,4,6-Triisopropylphenyl)sulfonyl)-1H-imidazole

Base Information

• Chemical Name: 1-((2,4,6-Triisopropylphenyl)sulfonyl)-1H-imidazole
• CAS No.: 50257-40-4
• Molecular Formula: C18H26 N2 O2 S
• Molecular Weight: 334.483
• Hs Code.: 2933290090
• European Community (EC) Number: 256-509-5
• UNII: XG2UWK3VRE
• DSSTox Substance ID: DTXSID80198252
• Nikkaji Number: J236.235J
• Wikidata: Q72513645
• ChEMBL ID: CHEMBL3400883
• Mol file: 50257-40-4.mol

Synonyms:50257-40-4;1-((2,4,6-Triisopropylphenyl)sulfonyl)-1H-imidazole;1-(2,4,6-Triisopropylbenzenesulfonyl)imidazole;1-(2,4,6-Triisopropylphenylsulfonyl)imidazole;XG2UWK3VRE;1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole;1-(2',4',6'-Triisopropylbenzenesulphonyl)imidazole;C18H26N2O2S;UNII-XG2UWK3VRE;EINECS 256-509-5;CHEMBL3400883;1H-Imidazole, 1-[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]-;1-(2',4',6'-Triisopropylbenzenesulfonyl)imidazole;1-[(2,4,6-Triisopropylphenyl)sulfonyl]-1H-imidazole;1H-Imidazole, 1-((2,4,6-triisopropylphenyl)sulfonyl)-;1-(2,4,6-Trisopropylbenzenesulfonyl)imidazole;N-(2,4,6-Triisopropylbenzenesulfonyl)imidazole;1-(2,4,6-Triisopropylphenylsulfonyl)-1H-imidazole;1-((2,4,6-Triisopropylphenyl)-sulfonyl)-1H-imidazole;1H-Imidazole, 1-((2,4,6-tris(1-methylethyl)phenyl)sulfonyl)-;TPSI [1-(2,4,6-Triisopropylbenzenesulfonyl)imidazole];Maybridge4_003047;Oprea1_048338;SCHEMBL840945;AGGRGODMKWLSDE-UHFFFAOYSA-;DTXSID80198252;HMS1529K11;BDBM50063856;MFCD00005283;STK387024;AKOS003257164;AC-7873;AM83874;CS-W011930;NCGC00176269-01;AS-17660;FT-0629086;T1410;VU0606806-1;C93485;1-(2,4,6-triisopropylbenzenesulfonyl) imidazole;1-(2,4,6-Triisopropylbenzenesulfonyl)-imidazole;n-(2,4,6-triisopropylbenzenesulphonyl)imidazole;1-(2,4,6-Triisopropylbenzene sulfonyl)-imidazole;A828031;1-(2,4,6-triisopropylbenzenesulfonyl)-1h-imidazole;J-504067;1-(2,4,6-Triisopropylbenzenesulfonyl)imidazole TPSI;TPSI?1-(2,4,6-Triisopropylbenzenesulfonyl)imidazole;1-[(2,4,6-Triisopropylphenyl)sulfonyl]-1H-imidazole #;F3237-0016;1-[2,4,6-tris(propan-2-yl)benzenesulfonyl]-1H-imidazole;1-{[2,4,6-tri(propan-2-yl)phenyl]sulfonyl}-1H-imidazole;Imidazole, 1-[2,4,6-tris(1-methylethyl)phenylsulfonyl)-;1-((2,4,6-TRIS(1-METHYLETHYL)PHENYL)SULFONYL)-1H-IMIDAZOLE;1-((2,4,6-TRIS(1-METHYLETHYL)PHENYL)SULPHONYL)-1H-IMIDAZOLE;1H-IMIDAZOLE, 1-((2,4,6-TRIS(1-METHYLETHYL)PHENYL)SULPHONYL)-;1-(2,4,6-triisopropylphenyl)sulfonylimidazole

Chemical Property of 1-((2,4,6-Triisopropylphenyl)sulfonyl)-1H-imidazole

Chemical Property:

• Vapor Pressure: 2.79E-08mmHg at 25°C
• Melting Point: 118-120 ºC
• Boiling Point: 449.7oC at 760 mmHg
• PKA: 0.65±0.10(Predicted)
• Flash Point: 225.8oC
• PSA: 60.34000
• Density: 1.13g/cm3
• LogP: 5.57110
• Storage Temp.: Store at RT.
• Sensitive.: Moisture Sensitive
• Solubility.: almost transparency in Methanol
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 334.17149925
• Heavy Atom Count: 23
• Complexity: 464

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2C=CN=C2)C(C)C

Technology Process of 1-((2,4,6-Triisopropylphenyl)sulfonyl)-1H-imidazole

There total 3 articles about 1-((2,4,6-Triisopropylphenyl)sulfonyl)-1H-imidazole 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)imidazole (18156-74-6) → 1-[(2,4,6-triisopropylphenyl)sulfonyl]-1H-imidazole (50257-40-4)

Guidance literature:

In dichloromethane; for 1h; Ambient temperature;

Reference yield: 93.0%

1H-imidazole (288-32-4) + 2,4,6-triisopropylphenylsulfonyl chloride (6553-96-4) → 1-[(2,4,6-triisopropylphenyl)sulfonyl]-1H-imidazole (50257-40-4)

Guidance literature:

With triethylamine; In dichloromethane; at 15 - 20 ℃; for 2h; Temperature; Solvent;

Reference yield:

→ 1-[(2,4,6-triisopropylphenyl)sulfonyl]-1H-imidazole (50257-40-4)

Guidance literature:

entspr. Sulfonylchlorid, Triaethylamin, Imidazol;

upstream raw materials:

2,4,6-triisopropylphenylsulfonyl chloride

1-(Trimethylsilyl)imidazole

1H-imidazole

Downstream raw materials:

C₃₃H₅₈O₅SSi

[(1R,3S,4R,5R,7R)-4-Methyl-3-((E)-styryl)-2,6-dioxa-bicyclo[3.2.1]oct-7-yl]-methanol

C₃₁H₄₂O₅S

Refernces

• 1、 Dabkowski, W.,Michalski, J.,Skrzypczynski, Z.. "A CONVENIENT SYNTHESIS OF PHOSPHORUS AND SULFONYL-SUBSTITUTED N-IMIDAZOLES (TRIAZOLES) USING THE CORRESPONDING ACID CHLORIDES AND N-TRIMETHYLSILYL IMIDAZOLES (TRIAZOLES)". . p. 321 - 326. Retrieved 2007/10/02.