5-Benzylidenebarbituric acid

Base Information Edit

Chemical Name:5-Benzylidenebarbituric acid
CAS No.:27402-47-7
Molecular Formula:C11H8 N2 O3
Molecular Weight:216.196
Hs Code.:2933540000
NSC Number:636605,179809,48255
DSSTox Substance ID:DTXSID50286913
Nikkaji Number:J207.998D
ChEMBL ID:CHEMBL272757
Mol file:27402-47-7.mol

Synonyms:27402-47-7;5-Benzylidenebarbituric acid;Benzalbarbituric acid;5-benzylidenepyrimidine-2,4,6(1H,3H,5H)-trione;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(phenylmethylene)-;5-benzylidene-1,3-diazinane-2,4,6-trione;CHEMBL272757;5-(phenylmethylidene)-1,3-diazinane-2,4,6-trione;NSC636605;5-BENZYLIDENE-PYRIMIDINE-2,4,6-TRIONE;5-Benzylidene-2,4,6(1H,3H,5H)-pyrimidinetrione;2,6(1H,3H,5H)-Pyrimidinetrione, 5-(phenylmethylene)-;5-benzylidenehexahydropyrimidine-2,4,6-trione;benzylidene barbituric;5-benzylidenebarbituric;CBMicro_032410;5-benzylidene-hexahydro-pyrimidine-2,4,6-trione;SCHEMBL1495340;DTXSID50286913;HMS1609O06;CBA40247;NSC48255;BDBM50375161;MFCD00059761;NSC-48255;NSC179809;STK100078;STL047538;AKOS001604867;AKOS005700952;NSC-179809;NSC-636605;SB57984;SDCCGMLS-0064598.P001;AS-66981;BIM-0032393.P001;B0007;CS-0450418;D95342;A819047;(5Z)-5-benzylidene-2,6-dihydroxypyrimidin-4(5H)-one;F0030-0022

Suppliers and Price of 5-Benzylidenebarbituric acid

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
5-BENZYLIDENE-PYRIMIDINE-2,4,6-TRIONE Aldrich
1ea
$ 144.00

Crysdot
5-Benzylidenepyrimidine-2,4,6(1H,3H,5H)-trione 95+%
25g
$ 414.00

American Custom Chemicals Corporation
BENZALBARBITURIC ACID 95.00%
5G
$ 286.65

Total 11 raw suppliers

Chemical Property of 5-Benzylidenebarbituric acid Edit

Chemical Property:

Melting Point:256 °C
PKA:7.17±0.20(Predicted)
PSA：75.27000
Density:1.387±0.06 g/cm3(Predicted)
LogP:1.09360
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:216.05349212
Heavy Atom Count:16
Complexity:345

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-BENZYLIDENE-PYRIMIDINE-2,4,6-TRIONE Aldrich ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C=C2C(=O)NC(=O)NC2=O

Technology Process of 5-Benzylidenebarbituric acid

There total 15 articles about 5-Benzylidenebarbituric 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: 99.0%

: 67-52-7,944357-77-1
BARBITURIC ACID

: 100-52-7
benzaldehyde

: 27402-47-7
5-benzylidenebarbituric acid

Guidance literature:: In ethanol; water; for 0.5h; Reflux;
DOI:10.1016/j.molstruc.2012.09.021

Reference yield: 85.0%

: 873-83-6
4-Amino-2,6-dihydroxypyrimidine

: 100-52-7
benzaldehyde

: 27402-47-7
5-benzylidenebarbituric acid

Guidance literature:: With iron(III) chloride hexahydrate; water; for 0.583333h; Reagent/catalyst; Solvent; Temperature; Reflux; Green chemistry;
DOI:10.1039/c4ra03413a