N,N-diethyl-2-phenyl-3H-benzimidazole-5-sulfonamide

Base Information

• Chemical Name: N,N-diethyl-2-phenyl-3H-benzimidazole-5-sulfonamide
• CAS No.: 6738-12-1
• Molecular Formula: C12H12
• Molecular Weight: 329.4167
• DSSTox Substance ID: DTXSID80412223
• Wikidata: Q82219479
• Mol file: 6738-12-1.mol

Synonyms:6738-12-1;N,N-diethyl-2-phenyl-3H-benzimidazole-5-sulfonamide;DTXSID80412223;AKOS016873630;EU-0057955;Z50134610

Chemical Property of N,N-diethyl-2-phenyl-3H-benzimidazole-5-sulfonamide

Chemical Property:

• Vapor Pressure: 7.69E-12mmHg at 25°C
• Boiling Point: 542.7°C at 760 mmHg
• Flash Point: 282°C
• Density: 1.272g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 329.11979803
• Heavy Atom Count: 23
• Complexity: 481

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)C3=CC=CC=C3

Technology Process of N,N-diethyl-2-phenyl-3H-benzimidazole-5-sulfonamide

There total 2 articles about N,N-diethyl-2-phenyl-3H-benzimidazole-5-sulfonamide 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:

1,1-bis(trimethylsilyloxy)prop-1-ene (31469-22-4) + 4-phenyl-3-butyne-2-one (1817-57-8) → 3-methyl-1-phenyl-pent-3-en-1-yne (6738-12-1) + 3-hydroxy-2,3-dimethyl-5-phenylpent-4-ynoic acid (1448604-91-8) + C13H12O2 (91902-65-7)

Guidance literature:

4-phenyl-3-butyne-2-one; With boron trifluoride diethyl etherate; In diethyl ether; at 0 ℃; for 0.05h; Inert atmosphere;

1,1-bis(trimethylsilyloxy)prop-1-ene; In diethyl ether; at 0 - 20 ℃; for 4h; Overall yield = 94 %; Inert atmosphere;

DOI:10.1016/j.tet.2013.06.069

Reference yield:

2-bromo-but-2-ene (13294-71-8) + carbon monoxide (201230-82-2) + phenylacetylene (536-74-3) → 3-methyl-1-phenyl-pent-3-en-1-yne (6738-12-1) + (E)-4-Methyl-1-phenyl-hex-4-en-1-yn-3-one

Guidance literature:

With triethylamine; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; at 120 ℃; for 43h; under 15200 Torr;

DOI:10.1039/c39810000333

upstream raw materials:

2-bromo-but-2-ene

carbon monoxide

phenylacetylene

1,1-bis(trimethylsilyloxy)prop-1-ene