N-(2-bromophenyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Base Information

• Chemical Name: N-(2-bromophenyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
• CAS No.: 5652-11-9
• Molecular Formula: C21H16O4
• Molecular Weight: 380.954
• DSSTox Substance ID: DTXSID00971963
• Wikidata: Q82955654
• Mol file: 5652-11-9.mol

Synonyms:5652-11-9;DTXSID00971963;AKOS006414314;N-(2-Bromophenyl)-2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanimidic acid

Chemical Property of N-(2-bromophenyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Chemical Property:

• Vapor Pressure: 7.89E-12mmHg at 25°C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.53g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 454.00991
• Heavy Atom Count: 28
• Complexity: 522

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3Br)C4=CC=CO4

Technology Process of N-(2-bromophenyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

There total 1 articles about N-(2-bromophenyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide 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: 75.0%

2,4-dichloroquinoline (703-61-7) → 2,4-diiodoquinoline (5652-11-9)

Guidance literature:

With acetyl chloride; sodium iodide; In acetonitrile; Cooling; Reflux; Inert atmosphere;

DOI:10.1590/S0103-50532010000900012

Reference yield: 92.0%

2,4-diiodoquinoline (5652-11-9) + 1-ethynyl-1-methylcyclohexane (28509-10-6) → 1,1'-((quinoline-2,4-diyl)bis(ethynyl))di(cyclohexanol) (1257245-16-1)

Guidance literature:

With copper(l) iodide; palladium 10% on activated carbon; triethylamine; triphenylphosphine; In water; for 10h; Inert atmosphere; Heating;

DOI:10.1590/S0103-50532010000900012

Reference yield: 90.0%

2,4-diiodoquinoline (5652-11-9) + 4-n-methylphenylacetylene (766-97-2) → 2,4-bis(p-tolylethynyl)quinoline (1257245-13-8)

Guidance literature:

With copper(l) iodide; palladium 10% on activated carbon; triethylamine; triphenylphosphine; In water; for 6h; Inert atmosphere; Heating;

DOI:10.1590/S0103-50532010000900012

upstream raw materials:

2,4-dichloroquinoline

Downstream raw materials:

2,4-bis(4-phenylbut-1-ynyl)quinoline

1,1'-((quinoline-2,4-diyl)bis(ethynyl))di(cyclohexanol)

2,4-di(phenylethynyl)quinoline

2,4-bis(p-tolylethynyl)quinoline