5-Butyl-1-phenylbarbituric acid

Base Information

• Chemical Name: 5-Butyl-1-phenylbarbituric acid
• CAS No.: 18160-14-0
• Molecular Formula: C14H16N2O3
• Molecular Weight: 0
• Hs Code.: 2933540000
• NSC Number: 85041
• Nikkaji Number: J54.729H
• Mol file: 18160-14-0.mol

Synonyms:5-Butyl-1-phenylbarbituric acid;18160-14-0;5-butyl-1-phenyl-1,3-diazinane-2,4,6-trione;BARBITURIC ACID, 5-BUTYL-1-PHENYL-;NSC 85041;BRN 0250782;5-Butyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-1-phenyl-;NSC85041;NCIOpen2_004969;WLN: T6VMVNV FHJ DR& F4;NSC-85041;LS-23988;5-Butyl-1-phenyl-2,6(1H,3H,5H)-pyrimidinetrione;2,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-1-phenyl-

Chemical Property of 5-Butyl-1-phenylbarbituric acid

Chemical Property:

• PSA: 66.48000
• Density: 1.195g/cm³
• LogP: 2.46960
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 260.11609238
• Heavy Atom Count: 19
• Complexity: 375

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2

Technology Process of 5-Butyl-1-phenylbarbituric acid

There total 2 articles about 5-Butyl-1-phenylbarbituric 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:

phenyl carbamate (64-10-8) + diethyl butylmalonate (133-08-4) → 1-Phenyl-5-butyl-barbitursaeure (18160-14-0)

Guidance literature:

With sodium methylate;

Reference yield:

→ 1-Phenyl-5-butyl-barbitursaeure (18160-14-0)

Guidance literature:

n-Butylmalonsaeuredichlorid, Phenyl-harnstoff;

Reference yield:

1-Phenyl-5-butyl-barbitursaeure (18160-14-0) → N-hexanoyl-N'-phenyl-urea (93428-77-4)

Guidance literature:

With ammonium hydroxide;

upstream raw materials:

phenyl carbamate

diethyl butylmalonate

Downstream raw materials:

N-hexanoyl-N'-phenyl-urea