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

Base Information

• Chemical Name: 5H-1,3,4-Thiadiazolo(2,3-b)quinazolin-5-one, 6,7,8,9-tetrahydro-2-methyl-
• CAS No.: 116805-48-2
• Molecular Formula: C₁₀H₁₁N₃OS
• Molecular Weight: 221.283
• DSSTox Substance ID: DTXSID20151523
• Nikkaji Number: J625.719D
• Wikidata: Q83017987
• Mol file: 116805-48-2.mol

Synonyms:BRN 5025317;5H-1,3,4-Thiadiazolo(2,3-b)quinazolin-5-one, 6,7,8,9-tetrahydro-2-methyl-;6,7,8,9-Tetrahydro-2-methyl-5H-1,3,4-thiadiazolo(2,3-b)quinazolin-5-one;116805-48-2;DTXSID20151523;LS-150368;2-Methyl-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-methyl-

Chemical Property:

• Vapor Pressure: 2.16E-05mmHg at 25°C
• Boiling Point: 360.8°Cat760mmHg
• Flash Point: 172°C
• Density: 1.58g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 221.06228316
• Heavy Atom Count: 15
• Complexity: 436

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN2C(=O)C3=C(CCCC3)N=C2S1

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

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

5-methyl-1,3,4-thiadiazol-2-amine (108-33-8) + ethyl 2-oxocyclohexane carboxylate (1655-07-8) → 2-methyl-6,7,8,9-tetrahydro-5H-1,3,4-thiadiazolo<2,3-b>quinazolin-5-one (116805-48-2)

Guidance literature:

With PPA; at 150 - 160 ℃; for 3h;

Reference yield:

2-(5-Methyl-[1,3,4]thiadiazol-2-ylamino)-cyclohex-1-enecarboxylic acid (160893-95-8) → 2-methyl-6,7,8,9-tetrahydro-5H-1,3,4-thiadiazolo<2,3-b>quinazolin-5-one (116805-48-2)

Guidance literature:

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

Reference yield: 90.0%

2-methyl-6,7,8,9-tetrahydro-5H-1,3,4-thiadiazolo<2,3-b>quinazolin-5-one (116805-48-2) → 2-methyl-6,7,8,9-tetrahydro-5H-1,3,4-thiadiazolo<2,3-b>quinazolin-5-thione (160893-91-4)

Guidance literature:

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

upstream raw materials:

5-methyl-1,3,4-thiadiazol-2-amine

ethyl 2-oxocyclohexane carboxylate

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

Downstream raw materials:

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

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