3-cyclohexylquinazoline-2,4(1H,3H)-dione

Base Information

• Chemical Name: 3-cyclohexylquinazoline-2,4(1H,3H)-dione
• CAS No.: 5943-92-0
• Molecular Formula: C14H16N2O2
• Molecular Weight: 244.293
• NSC Number: 225116
• DSSTox Substance ID: DTXSID80310316
• Nikkaji Number: J2.389.252I
• Wikidata: Q82059218
• Mol file: 5943-92-0.mol

Synonyms:3-cyclohexylquinazoline-2,4(1H,3H)-dione;5943-92-0;STK742074;NSC 225116;3-cyclohexyl-2-hydroxyquinazolin-4(3H)-one;NSC225116;ChemDiv2_007802;Oprea1_465157;SCHEMBL6982576;DTXSID80310316;HMS1391C14;HMS3535O19;STK107732;AKOS000622181;AKOS005530699;CCG-198503;NSC-225116;IDI1_006517;EU-0060616;Z55663907;3-Cyclohexyl-1,2,3,4-tetrahydroquinazoline-2,4-dione

Chemical Property of 3-cyclohexylquinazoline-2,4(1H,3H)-dione

Chemical Property:

• PSA: 54.86000
• Density: 1.243g/cm³
• LogP: 2.19500
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 244.121177757
• Heavy Atom Count: 18
• Complexity: 350

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)N2C(=O)C3=CC=CC=C3NC2=O

Technology Process of 3-cyclohexylquinazoline-2,4(1H,3H)-dione

There total 21 articles about 3-cyclohexylquinazoline-2,4(1H,3H)-dione 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: 98.0%

bis(trichloromethyl) carbonate (32315-10-9) + anthranilic acid cyclohexylamine (56814-11-0) → 3-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline (5943-92-0)

Guidance literature:

With iodine; at 80 ℃; for 0.5h; Ionic liquid;

DOI:10.1080/00397911.2010.524340

Reference yield: 97.0%

2-bromobenzoic acid methyl ester (610-94-6) + N'-cyclohexylurea (698-90-8) → 3-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline (5943-92-0)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 100 ℃; for 48h;

DOI:10.1021/ol062009x

Reference yield: 92.0%

Cyclohexyl isocyanide (931-53-3) + carbon dioxide (124-38-9,18923-20-1) + 2-iodophenylamine (615-43-0) → 3-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline (5943-92-0)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 80 ℃; for 10h; under 760.051 Torr;

DOI:10.1039/c9nj04288a

upstream raw materials:

isatoic anhydride

diethyl cyclohexylphosphoramidate

N-(o-Methoxycarbonyl-phenyl)-N'-cyclohexyl-harnstoff

2-bromobenzoic acid methyl ester

Downstream raw materials:

1-(4-bromobutyl)-3-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline

3-cyclohexyl-1-[2-oxo-2-(p-tolyl)ethyl]quinazoline-2,4(1H,3H)-dione

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