Barbituric acid, 5-allyl-

Base Information

• Chemical Name: Barbituric acid, 5-allyl-
• CAS No.: 2565-43-7
• Molecular Formula: C7H8 N2 O3
• Molecular Weight: 168.152
• European Community (EC) Number: 219-893-5
• NSC Number: 71205
• DSSTox Substance ID: DTXSID10180347
• Nikkaji Number: J192.069C
• Wikidata: Q83050884
• Mol file: 2565-43-7.mol

Synonyms:5-Allylbarbituric acid;BARBITURIC ACID, 5-ALLYL-;2565-43-7;Deallylallobarbitone;5-Allyl-2,4,6-pyrimidinetrione;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-propenyl)-;EINECS 219-893-5;NSC 71205;BRN 0006978;5-24-09-00214 (Beilstein Handbook Reference);5-prop-2-enyl-1,3-diazinane-2,4,6-trione;NSC71205;Oprea1_551297;SCHEMBL472480;DTXSID10180347;NSC-71205;STK693286;AKOS003626748;LS-23659;5-allyl-2,4,6(1H,3H,5H)-pyrimidinetrione;2,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-propenyl)-;5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione;5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione

Chemical Property of Barbituric acid, 5-allyl-

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: pK1: 4.78(+1) (25°C)
• Flash Point: °C
• PSA: 75.27000
• Density: 1.225g/cm³
• LogP: 0.20230
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 168.05349212
• Heavy Atom Count: 12
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

5-(PROP-2-EN-1-YL)-1,3-DIAZINANE-2,4,6-TRIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC1C(=O)NC(=O)NC1=O

Technology Process of Barbituric acid, 5-allyl-

There total 9 articles about Barbituric acid, 5-allyl- 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: 67.0%

(2-propenyl)propanedioic acid diethyl ester (2049-80-1) + urea (57-13-6) → 5-allyl-pyrimidine-2,4,6-trione (2565-43-7)

Guidance literature:

With sodium; In methanol; for 5h; Heating;

DOI:10.1021/ja005886l

Reference yield:

5-Allyl-5-(1-methyl-butyl)-barbitursaeure; Secobarbital (76-73-3,29071-21-4,20224-45-7) → 1-penten (109-67-1) + 5-(1-methylbutyl)barbituric acid (83-29-4,22328-97-8) + 5-allyl-pyrimidine-2,4,6-trione (2565-43-7) + 2-pentene (109-68-2)

Guidance literature:

In hydrogenchloride; ethanol; for 20h; Ambient temperature; Irradiation;

Reference yield:

5-(N-hydroxylamino)-5-(2-propen-1-yl)barbituric acid → 5-allyl-pyrimidine-2,4,6-trione (2565-43-7)

Guidance literature:

With GLUTATHIONE; In methanol; aq. phosphate buffer; at 37 ℃; pH=7.4; Kinetics; Inert atmosphere;

upstream raw materials:

BARBITURIC ACID

ethanol

sodium acetate

allyl bromide

Refernces

• 1、 Dong, Qigeqi,Cai, Qian,Gao, Yangyang,Zhang, Shiqi,Gao, Ge,Harnoode, Chokto,Morigen,Dong, Alideertu. "Synthesis and bactericidal evaluation of imide N-halamine-loaded PMMA nanoparticles". . p. 1783 - 1791. Retrieved 2015/03/18.
• 2、 Fenniri,Mathivanan,Vidale,Sherman,Hallenga,Wood,Stowell. "Helical rosette nanotubes: Design, self-assembly, and characterization [19]". . p. 3854 - 3855. Retrieved 2007/10/03.