Barbituric acid, 5-benzyl-1,3-dimethyl-

Base Information

• Chemical Name: Barbituric acid, 5-benzyl-1,3-dimethyl-
• CAS No.: 15018-52-7
• Molecular Formula: C13H14 N2 O3
• Molecular Weight: 246.266
• NSC Number: 120879
• UNII: RU5F9H5XHE
• DSSTox Substance ID: DTXSID50164484
• Nikkaji Number: J54.719K
• Wikidata: Q83033562
• ChEMBL ID: CHEMBL1904800
• Mol file: 15018-52-7.mol

Synonyms:BARBITURIC ACID, 5-BENZYL-1,3-DIMETHYL-;15018-52-7;5-Benzyl-1,3-dimethylbarbituric acid;2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(phenylmethyl)-;RU5F9H5XHE;NSC 120879;BRN 0225511;5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione;MLS002707089;NSC-120879;5-24-09-00282 (Beilstein Handbook Reference);NSC120879;UNII-RU5F9H5XHE;SCHEMBL4435666;CHEMBL1904800;DTXSID50164484;1,3-Dimethyl-5-benzylbarbituric acid;LS-23809;SMR001574484;5-benzyl-1,3-dimethyl-pyrimidine-2,4,6-trione;2,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(phenylmethyl)-

Chemical Property of Barbituric acid, 5-benzyl-1,3-dimethyl-

Chemical Property:

• Vapor Pressure: 2.29E-05mmHg at 25°C
• Boiling Point: 360°Cat760mmHg
• Flash Point: 154.4°C
• Density: 1.254g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 246.10044231
• Heavy Atom Count: 18
• Complexity: 350

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)C(C(=O)N(C1=O)C)CC2=CC=CC=C2

Technology Process of Barbituric acid, 5-benzyl-1,3-dimethyl-

There total 19 articles about Barbituric acid, 5-benzyl-1,3-dimethyl- 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%

5-benzylidene-1,3-dimethyl-pyrimidine-2,4,6-trione (54459-73-3) → 5-benzyl-1,3-dimethyl-pyrimidine-2,4,6-trione (15018-52-7)

Guidance literature:

With sodium tetrahydroborate; ethanol; for 2h;

Reference yield: 95.0%

1,3-dimethylbarbituric acid (769-42-6) + benzyl alcohol (100-51-6,185532-71-2) → 5-benzyl-1,3-dimethyl-pyrimidine-2,4,6-trione (15018-52-7)

Guidance literature:

With C₉H₁₄B₁₀ClFeNS; In toluene; at 20 ℃; for 2.66667h;

Reference yield: 93.0%

1,3-dimethylbarbituric acid (769-42-6) + tribenzylamine (620-40-6) → 5-benzyl-1,3-dimethyl-pyrimidine-2,4,6-trione (15018-52-7)

Guidance literature:

With water; at 180 ℃; for 1h;

upstream raw materials:

1,3-dimethylbarbituric acid

benzyl chloride

5-benzylidene-1,3-dimethyl-pyrimidine-2,4,6-trione

9,10-dihydroanthracene

Downstream raw materials:

5-benzyl-6-chloro-1,3-dimethyluracil

5-benzyl-1,3-dimethyl-5-(3-methyl-but-2-enyl)-pyrimidine-2,4,6-trione

5-benzyl-6-methoxy-1,3-dimethyl-1H-pyrimidine-2,4-dione

5-benzylidene-1,3-dimethyl-pyrimidine-2,4,6-trione