2-Thioxo-5H-1,3,4-thiadiazolo[2,3-b]quinazolin-5-one

Base Information

• Chemical Name: 2-Thioxo-5H-1,3,4-thiadiazolo[2,3-b]quinazolin-5-one
• CAS No.: 106511-81-3
• Molecular Formula: C9H5N3OS2
• Molecular Weight: 235.28500
• Mol file: 106511-81-3.mol

Synonyms:2-Mercapto-1-thia-3,3a,9-triaza-cyclopenta[b]naphthalen-4-one;2-mercapto-1,3,4-thiadiazolo[2,3-b]quinazolin-5-one;2-mercapto-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one;

Chemical Property of 2-Thioxo-5H-1,3,4-thiadiazolo[2,3-b]quinazolin-5-one

Chemical Property:

• Melting Point: 198 - 200 °C (ethanol)
• PSA: 114.30000
• LogP: 1.59290

Purity/Quality:

>95% ^*data from raw suppliers

2,3-Dihydro-2-thioxo-5H-1,3,4-thiadiazolo[2,3-b]quinazolin-5-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2,3-Dihydro-2-thioxo-5H-1,3,4-thiadiazolo[2,3-b]quinazolin-5-one was used to study the activity of thiadiazoloquinazolinones as platelet aggregation inhibitors.

Technology Process of 2-Thioxo-5H-1,3,4-thiadiazolo[2,3-b]quinazolin-5-one

There total 4 articles about 2-Thioxo-5H-1,3,4-thiadiazolo[2,3-b]quinazolin-5-one 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: 97.0%

Thiram (137-26-8,93196-73-7) + 2-(2-aminophenyl)-5-mercapto-1,3,4-oxadiazole (203268-81-9,32058-76-7) → 2-mercapto-1,3,4-thiadiazolo<2,3-b>quinazolin-5-one (106511-81-3)

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃; for 1h;

DOI:10.1007/BF01170752

Reference yield: 90.0%

carbon disulfide (75-15-0,12122-00-8) + 3-amino-2-mercapto-3H-quinazolin-4-one (16951-33-0) → 2-mercapto-1,3,4-thiadiazolo<2,3-b>quinazolin-5-one (106511-81-3)

Guidance literature:

With potassium hydroxide; In ethanol; for 10h; Reflux;

DOI:10.3109/14756366.2015.1004059

Reference yield:

methyl o-methoxycarbonylphenyldithiocarbonate (106511-80-2) → 2-mercapto-1,3,4-thiadiazolo<2,3-b>quinazolin-5-one (106511-81-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 80percent hydrazine hydrate / 0.5 h / Ambient temperature

2: 64 percent / NaOH / H₂O / 6 h / Heating

With sodium hydroxide; hydrazine hydrate; In water;

upstream raw materials:

carbon disulfide

3-amino-2-mercapto-3H-quinazolin-4-one

Thiram

2-(2-aminophenyl)-5-mercapto-1,3,4-oxadiazole