5H-1,3,4-Thiadiazolo(2,3-b)quinazolin-5-one, 6,7,8,9-tetrahydro-2-phenyl-

Base Information

• Chemical Name: 5H-1,3,4-Thiadiazolo(2,3-b)quinazolin-5-one, 6,7,8,9-tetrahydro-2-phenyl-
• CAS No.: 116805-50-6
• Molecular Formula: C15H13 N3 O S
• Molecular Weight: 283.3482
• DSSTox Substance ID: DTXSID40151525
• Nikkaji Number: J625.721F
• Wikidata: Q83017989
• Mol file: 116805-50-6.mol

Synonyms:BRN 5093560;5H-1,3,4-Thiadiazolo(2,3-b)quinazolin-5-one, 6,7,8,9-tetrahydro-2-phenyl-;6,7,8,9-Tetrahydro-2-phenyl-5H-1,3,4-thiadiazolo(2,3-b)quinazolin-5-one;116805-50-6;DTXSID40151525;LS-150369;2-Phenyl-6,7,8,9-tetrahydro-5H-1,3,4-thiadiazolo[2,3-b]quinazolin-5-one

Chemical Property of 5H-1,3,4-Thiadiazolo(2,3-b)quinazolin-5-one, 6,7,8,9-tetrahydro-2-phenyl-

Chemical Property:

• Vapor Pressure: 3.73E-08mmHg at 25°C
• Boiling Point: 446.1°C at 760 mmHg
• Flash Point: 223.6°C
• Density: 1.47g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 283.07793322
• Heavy Atom Count: 20
• Complexity: 543

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C(=O)N3C(=N2)SC(=N3)C4=CC=CC=C4

Technology Process of 5H-1,3,4-Thiadiazolo(2,3-b)quinazolin-5-one, 6,7,8,9-tetrahydro-2-phenyl-

There total 2 articles about 5H-1,3,4-Thiadiazolo(2,3-b)quinazolin-5-one, 6,7,8,9-tetrahydro-2-phenyl- 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: 25.0%

2-amino-5-phenyl-1,3,4-thiadiazole (2002-03-1) + ethyl 2-oxocyclohexane carboxylate (1655-07-8) → 2-phenyl-6,7,8,9-tetrahydro-5H-1,3,4-thiadiazolo<2,3-b>quinazolin-5-one (116805-50-6)

Guidance literature:

With PPA; at 150 - 160 ℃; for 3h;

Reference yield:

2-(5-Phenyl-[1,3,4]thiadiazol-2-ylamino)-cyclohex-1-enecarboxylic acid (160893-97-0) → 2-phenyl-6,7,8,9-tetrahydro-5H-1,3,4-thiadiazolo<2,3-b>quinazolin-5-one (116805-50-6)

Guidance literature:

With trichlorophosphate; In benzene; for 2h; Heating;

Reference yield: 75.0%

2-phenyl-6,7,8,9-tetrahydro-5H-1,3,4-thiadiazolo<2,3-b>quinazolin-5-one (116805-50-6) → 2-phenyl-6,7,8,9-tetrahydro-5H-1,3,4-thiadiazolo<2,3-b>quinazolin-5-thione (160893-93-6)

Guidance literature:

With Lawessons reagent; In toluene; at 120 ℃; for 3h;

upstream raw materials:

2-amino-5-phenyl-1,3,4-thiadiazole

ethyl 2-oxocyclohexane carboxylate

2-(5-Phenyl-[1,3,4]thiadiazol-2-ylamino)-cyclohex-1-enecarboxylic acid

Downstream raw materials:

2-phenyl-5H-1,3,4-thiadiazolo<2,3-b>quinazolin-5-one

2-(5-Phenyl-[1,3,4]thiadiazol-2-ylamino)-cyclohex-1-enecarboxylic acid

2-phenyl-6,7,8,9-tetrahydro-5H-1,3,4-thiadiazolo<2,3-b>quinazolin-5-thione