1-Benzyl-5,5-diethylbarbituric acid

Base Information

• Chemical Name: 1-Benzyl-5,5-diethylbarbituric acid
• CAS No.: 92870-36-5
• Molecular Formula: C15H18 N2 O3
• Molecular Weight: 274.32
• Hs Code.: 2933540000
• European Community (EC) Number: 296-610-1
• DSSTox Substance ID: DTXSID10239167
• Nikkaji Number: J333.400G
• Wikidata: Q83121520
• Mol file: 92870-36-5.mol

Synonyms:1-Benzyl-5,5-diethylbarbituric acid;92870-36-5;EINECS 296-610-1;Cambridge id 5174620;Oprea1_005601;DTXSID10239167;1-benzyl-5,5-diethylpyrimidine-2,4,6(1H,3H,5H)-trione

Chemical Property of 1-Benzyl-5,5-diethylbarbituric acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 69.97000
• Density: 1.167g/cm³
• LogP: 2.28520
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 274.13174244
• Heavy Atom Count: 20
• Complexity: 409

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)CC

Technology Process of 1-Benzyl-5,5-diethylbarbituric acid

There total 2 articles about 1-Benzyl-5,5-diethylbarbituric 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:

diethylbarbituric acid (57-44-3) + benzyl chloride (100-44-7) → 1-benzyl-5,5-diethyl-2,4,6(1H,3H,5H)pyrimidinetrione (92870-36-5)

Guidance literature:

With sodium hydroxide;

Reference yield:

benzylurea (538-32-9) + diethyl diethylmalonate (77-25-8) → 1-benzyl-5,5-diethyl-2,4,6(1H,3H,5H)pyrimidinetrione (92870-36-5)

Guidance literature:

With sodium methylate;

Reference yield: 94.0%

1-benzyl-5,5-diethyl-2,4,6(1H,3H,5H)pyrimidinetrione (92870-36-5) → 1-Benzyl-5,5-diethyl-3-methylbarbitursaeure (132660-15-2)

Guidance literature:

With sodium hydroxide; In methanol; water;

DOI:10.1016/S0040-4039(00)00852-2

upstream raw materials:

diethylbarbituric acid

benzyl chloride

benzylurea

diethyl diethylmalonate

Downstream raw materials:

1-Benzyl-5,5-diethyl-3-methylbarbitursaeure