6-Bromo-2-thioxo-3-(p-tolyl)-2,3-dihydroquinazolin-4(1H)-one

Base Information

• Chemical Name: 6-Bromo-2-thioxo-3-(p-tolyl)-2,3-dihydroquinazolin-4(1H)-one
• CAS No.: 18009-10-4
• Molecular Formula: C15H11BrN2OS
• Molecular Weight: 347.235
• NSC Number: 639731
• DSSTox Substance ID: DTXSID70388064
• Nikkaji Number: J276.990E
• ChEMBL ID: CHEMBL1999937
• Mol file: 18009-10-4.mol

Synonyms:NSC639731;18009-10-4;6-Bromo-2-thioxo-3-(p-tolyl)-2,3-dihydroquinazolin-4(1H)-one;Oprea1_606995;CHEMBL1999937;DTXSID70388064;AKOS002090774;NSC-639731;NCI60_013210;SR-01000556778;6-bromo-3-(p-tolyl)-2-thioxo-1H-quinazolin-4-one;SR-01000556778-1;6-bromo-2-mercapto-3-(4-methylphenyl)-4(3H)-quinazolinone;1,2-Dihydro-3-(4-methylphenyl)-6-bromo-2-thioxoquinazolin-4(3H)-one;6-Bromo-3-(4-methylphenyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone;6-bromo-3-(4-methylphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one;6-bromo-3-(4-methylphenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

Chemical Property of 6-Bromo-2-thioxo-3-(p-tolyl)-2,3-dihydroquinazolin-4(1H)-one

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: 409

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)NC2=S

Technology Process of 6-Bromo-2-thioxo-3-(p-tolyl)-2,3-dihydroquinazolin-4(1H)-one

There total 2 articles about 6-Bromo-2-thioxo-3-(p-tolyl)-2,3-dihydroquinazolin-4(1H)-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:

5-Bromo-2-aminobenzoic acid (5794-88-7) + 1-isothiocyanato-4-methylbenzene (622-59-3) → 6-bromo-2-thioxo-3-p-tolyl-2,3-dihydro-1H-quinazolin-4-one (18009-10-4)

Guidance literature:

In ethanol; Heating;

DOI:10.1021/je00049a031

Reference yield:

→ 6-bromo-2-thioxo-3-p-tolyl-2,3-dihydro-1H-quinazolin-4-one (18009-10-4)

Guidance literature:

5-Bromanthranilsaeure, p-Tolylisothiocyanat;

Reference yield: 77.0%

6-bromo-2-thioxo-3-p-tolyl-2,3-dihydro-1H-quinazolin-4-one (18009-10-4) + β-Isopropylaminoethyl bromide hydrobromide (96400-94-1) → 6-Bromo-2-(2-isopropylamino-ethylsulfanyl)-3-p-tolyl-3H-quinazolin-4-one (58126-01-5)

Guidance literature:

With sodium hydroxide; In ethanol; for 1h; Ambient temperature;

DOI:10.1021/je00049a031

upstream raw materials:

5-Bromo-2-aminobenzoic acid

1-isothiocyanato-4-methylbenzene

Downstream raw materials:

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

2-(3-Amino-propylsulfanyl)-6-bromo-3-p-tolyl-3H-quinazolin-4-one

6-Bromo-2-(2-diisopropylamino-ethylsulfanyl)-3-p-tolyl-3H-quinazolin-4-one

6-Bromo-2-hydrazino-3-p-tolyl-3H-quinazolin-4-one

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