6-iodo-3-(2-methylphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one

Base Information

Chemical Name:6-iodo-3-(2-methylphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
CAS No.:18741-39-4
Molecular Formula:C15H11IN2OS
Molecular Weight:
Hs Code.:
DSSTox Substance ID:DTXSID301165513

Synonyms:18741-39-4;DTXSID301165513;STK560722;AKOS005486370;AKOS030517261;6-iodo-2-mercapto-3-(o-tolyl)quinazolin-4(3H)-one;2,3-Dihydro-6-iodo-3-(2-methylphenyl)-2-thioxo-4(1H)-quinazolinone;6-iodo-3-(2-methylphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one

Suppliers and Price of 6-iodo-3-(2-methylphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 6-iodo-3-(2-methylphenyl)-2-thioxo-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:393.96368
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)I)NC2=S

Technology Process of 6-iodo-3-(2-methylphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one

There total 2 articles about 6-iodo-3-(2-methylphenyl)-2-thioxo-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:

: 5326-47-6
2-amino-5-iodobenzoic acid

: 614-69-7
2-tolyl isothiocyanate

: 18741-39-4
C₁₅H₁₁IN₂OS

Guidance literature:: With triethylamine; In 1,4-dioxane; for 6h; Reflux;
DOI:10.1021/jm400781h

Reference yield:

: 18741-39-4
6-iodo-2-thioxo-3-o-tolyl-2,3-dihydro-1H-quinazolin-4-one

Guidance literature:: aus 5-Jod-anthranilsaeure u. o-Tolylisothiocyanat;

Reference yield:

: 18741-39-4
C₁₅H₁₁IN₂OS

: 5-[2-amino-3-(2-methylphenyl)-4-oxo-3,4-dihydro-6-quinazolinyl]-N-(2,4-difluorophenyl)-2-(methyloxy)-3-pyridinesulfonamide

Guidance literature:: Multi-step reaction with 4 steps

1: trichlorophosphate; phosphorus pentachloride / 20 - 110 °C

2: N-ethyl-N,N-diisopropylamine / 4 h / 80 °C

3: trifluoroacetic acid / 0.33 h / 140 °C / Reflux; Microwave irradiation

4: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium carbonate / 1,4-dioxane; water / 1.5 h / 80 °C / Inert atmosphere; Sealed tube

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; phosphorus pentachloride; potassium carbonate; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; trichlorophosphate; In 1,4-dioxane; water;
DOI:10.1021/jm400781h