6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone

Base Information

• Chemical Name: 6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone
• CAS No.: 18009-08-0
• Molecular Formula: C15H11BrN2OS
• Molecular Weight: 347.235
• DSSTox Substance ID: DTXSID901163341

Synonyms:DTXSID901163341;6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone;18009-08-0

Chemical Property of 6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 345.97755
• Heavy Atom Count: 20
• Complexity: 417

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1N2C(=O)C3=C(C=CC(=C3)Br)NC2=S

Technology Process of 6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone

There total 2 articles about 6-Bromo-2,3-dihydro-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone 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:

5-Bromo-2-aminobenzoic acid (5794-88-7) + 2-tolyl isothiocyanate (614-69-7) → 6-Bromo-2-thioxo-3-o-tolyl-2,3-dihydro-1H-quinazolin-4-one (18009-08-0)

Guidance literature:

In ethanol; Heating;

DOI:10.1021/je00049a031

Reference yield:

→ 6-bromo-2-thioxo-3-o-tolyl-2,3-dihydro-1H-quinazolin-4-one (18009-08-0)

Guidance literature:

5-Bromanthranilsaeure, o-Tolylisothiocyanat;

Reference yield: 79.0%

2-chloro-N-[5-(cyclohexyl)-1,3,4-thiadiazol-2-yl]acetamide (83390-45-8) + 6-bromo-2-thioxo-3-o-tolyl-2,3-dihydro-1H-quinazolin-4-one (18009-08-0) → 2-(6-Bromo-4-oxo-3-o-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-N-(5-cyclohexyl-[1,3,4]thiadiazol-2-yl)-acetamide (83390-28-7)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 5h; Heating;

upstream raw materials:

5-Bromo-2-aminobenzoic acid

2-tolyl isothiocyanate

Downstream raw materials:

2-(6-Bromo-4-oxo-3-o-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-N-[5-(2-cyclohexyl-ethyl)-[1,3,4]thiadiazol-2-yl]-acetamide

2-(6-Bromo-4-oxo-3-o-tolyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-N-(5-cyclohexyl-[1,3,4]thiadiazol-2-yl)-acetamide

2-(2-Amino-ethylsulfanyl)-6-bromo-3-o-tolyl-3H-quinazolin-4-one

6-Bromo-2-(2-isopropylamino-ethylsulfanyl)-3-o-tolyl-3H-quinazolin-4-one

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