5-Furfurylidenebarbituric acid

Base Information

• Chemical Name: 5-Furfurylidenebarbituric acid
• CAS No.: 27406-36-6
• Molecular Formula: C₉H₆N₂O₄
• Molecular Weight: 206.158
• Hs Code.: 2934999090
• NSC Number: 93915
• DSSTox Substance ID: DTXSID30181831
• Nikkaji Number: J54.585F
• ChEMBL ID: CHEMBL1718492
• Mol file: 27406-36-6.mol

Synonyms:5-Furfurylidenebarbituric acid;27406-36-6;Barbituric acid, 5-furfurylidene-;5-(2-furylmethylene)pyrimidine-2,4,6(1h,3h,5h)-trione;NSC 93915;BRN 0204513;5-(furan-2-ylmethylidene)-1,3-diazinane-2,4,6-trione;AI3-60102;MLS002695220;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-furanylmethylene)-;1-27-00-00607 (Beilstein Handbook Reference);5-(2-Furanylmethylene)hexahydropyrimidine-2,4,6-trione;5-(furan-2-ylmethylene)pyrimidine-2,4,6(1H,3H,5H)-trione;NSC93915;Maybridge1_002461;DivK1c_001213;SCHEMBL2295099;CHEMBL1718492;HMS548H19;5-(2-furylmethylene)-1,3-dihydropyrimidine-2,4,6-trione;DTXSID30181831;HMS3087O03;NSC-93915;STK027870;AKOS000325808;CDS1_000173;LS-24504;SMR001561130;WLN: T6NVN EYJ DQ FQ EU1- BT5OJ;AB00123090-02;Z57282894;F0777-0025;2,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-furanylmethylene)-;5-(furan-2-ylmethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione

Chemical Property of 5-Furfurylidenebarbituric acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 88.41000
• Density: 1.487g/cm³
• LogP: 0.68660
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 206.03275668
• Heavy Atom Count: 15
• Complexity: 339

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Furfurylidenebarbituric acid

There total 5 articles about 5-Furfurylidenebarbituric 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: 96.0%

furfural (98-01-1) + BARBITURIC ACID (67-52-7,944357-77-1) → 5-(2-furfurylidene)barbituric acid (27406-36-6)

Guidance literature:

With ethylammonium nitrate; at 20 ℃; for 0.333333h;

DOI:10.1081/SCC-200043210

Reference yield: 88.0%

furfural (98-01-1) + BARBITURIC ACID (67-52-7,944357-77-1) + malononitrile (109-77-3) → 5-(2-furfurylidene)barbituric acid (27406-36-6)

Guidance literature:

With 1,1'-(butane-1,4-diyl)bis(1H-imidazol-3-ium) hydrogen sulfate; In water; for 0.25h; Reagent/catalyst; Reflux; Green chemistry;

DOI:10.1039/c8nj01179f

Reference yield: 80.0%

BARBITURIC ACID (67-52-7,944357-77-1) + 2-cyano-3-(2-furanyl)acrylonitrile (3237-22-7) → 5-(2-furfurylidene)barbituric acid (27406-36-6)

Guidance literature:

In ethanol; for 0.0833333h;

upstream raw materials:

furfural

BARBITURIC ACID

2-cyano-3-(2-furanyl)acrylonitrile

malononitrile