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

Base Information

• Chemical Name: Barbituric acid, 5-butyl-1,3-dimethyl-
• CAS No.: 7391-62-0
• Molecular Formula: C₁₀H₁₆N₂O₃
• Molecular Weight: 212.249
• European Community (EC) Number: 616-031-3
• DSSTox Substance ID: DTXSID00224502
• Nikkaji Number: J93.536K
• Wikidata: Q83103098
• Mol file: 7391-62-0.mol

Synonyms:5-Butyl-1,3-dimethylbarbituric acid;BARBITURIC ACID, 5-BUTYL-1,3-DIMETHYL-;BRN 0204473;7391-62-0;4-24-00-01899 (Beilstein Handbook Reference);dimethyl butyl barbiturate;SCHEMBL1263039;DTXSID00224502;1,3-Dimethyl-5-butylbarbituric acid;LS-23922;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-1,3-dimethyl-

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

Chemical Property:

• Vapor Pressure: 0.00236mmHg at 25°C
• Boiling Point: 288.3°C at 760 mmHg
• Flash Point: 113.2°C
• Density: 1.125g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 212.11609238
• Heavy Atom Count: 15
• Complexity: 277

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1C(=O)N(C(=O)N(C1=O)C)C

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

There total 4 articles about Barbituric acid, 5-butyl-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: 90.0%

1,3-dimethylbarbituric acid (769-42-6) + tributyl-amine (102-82-9) → 5-Butyl-1,3-dimethylbarbituric acid (7391-62-0)

Guidance literature:

With water; at 180 ℃; for 1h;

Reference yield: 88.0%

5-((E)-But-2-enylidene)-1,3-dimethyl-pyrimidine-2,4,6-trione → 5-Butyl-1,3-dimethylbarbituric acid (7391-62-0)

Guidance literature:

With acetic acid; zinc; at 20 ℃;

DOI:10.1016/S0040-4039(03)00111-4

Reference yield:

N,N'-Dimethylurea (96-31-1) + n-butylmalonic acid (534-59-8) → 5-Butyl-1,3-dimethylbarbituric acid (7391-62-0)

Guidance literature:

With acetic anhydride; acetic acid;

DOI:10.1021/ja01847a008

upstream raw materials:

N,N'-Dimethylurea

n-butylmalonic acid

1,3-dimethylbarbituric acid

tributyl-amine

Refernces

• 1、 Krasnov. "Reaction of 1,3-Dialkylbarbituric acids with aliphatic amines". . p. 280 - 284. Retrieved 2007/10/03.