1,6-Dimethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

Base Information

Chemical Name:1,6-Dimethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CAS No.:60750-38-1
Molecular Formula:C13H14N2O3
Molecular Weight:246.266
Hs Code.:
DSSTox Substance ID:DTXSID301144682
Nikkaji Number:J869.878C

Synonyms:Oprea1_593893;DTXSID301144682;CCG-245427;1,2,3,4-Tetrahydro-1,6-dimethyl-2-oxo-4-phenyl-5-pyrimidinecarboxylic acid;1,6-dimethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid;60750-38-1

Suppliers and Price of 1,6-Dimethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

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

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Chemical Property of 1,6-Dimethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

Chemical Property:

XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:246.10044231
Heavy Atom Count:18
Complexity:397

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C(NC(=O)N1C)C2=CC=CC=C2)C(=O)O

Technology Process of 1,6-Dimethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

There total 3 articles about 1,6-Dimethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid 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: 85.0%

: 60750-24-5
benzyl 1,6-dimethyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

: 60750-38-1
1,2,3,4-tetrahydro-1,6-dimethyl-2-oxo-4-phenylpyrimidine-5-carboxylic acid

Guidance literature:: With hydrogen; acetic acid; palladium on activated charcoal; In ethanol; at 40 - 45 ℃; atmospheric pressure;
DOI:10.1016/j.tet.2005.12.061

Reference yield:

: 5396-89-4
benzyl acetoacetate

: 60750-38-1
1,2,3,4-tetrahydro-1,6-dimethyl-2-oxo-4-phenylpyrimidine-5-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 36 percent / Yb(OTf)3 / acetonitrile / 0.33 h / 120 °C / microwave irradiation

2: 85 percent / hydrogen; acetic acid / Pd/C / ethanol / 40 - 45 °C / atmospheric pressure

With hydrogen; acetic acid; ytterbium(III) triflate; palladium on activated charcoal; In ethanol; acetonitrile; 1: Biginelli condensation;
DOI:10.1016/j.tet.2005.12.061