5-(4-Biphenylyl)-5-ethylbarbituric acid

Base Information

• Chemical Name: 5-(4-Biphenylyl)-5-ethylbarbituric acid
• CAS No.: 94209-48-0
• Molecular Formula: C₁₈H₁₆N₂O₃
• Molecular Weight: 308.337
• DSSTox Substance ID: DTXSID20367041
• Nikkaji Number: J1.522.388J
• Wikidata: Q82152613
• Pharos Ligand ID: 5N7XCKPT1FSH
• ChEMBL ID: CHEMBL367524

Synonyms:CHEMBL367524;NIOSH/CQ0532020;5-Biphenyl-4-yl-5-ethyl-pyrimidine-2,4,6-trione;5-(4-Biphenylyl)-5-ethylbarbituric acid;Acido 5-etil 5-(p-difenilil)barbiturici;M.G. 3419;CQ05320200;Barbituric acid, 5-(4-biphenylyl)-5-ethyl-;Acido 5-etil 5-(p-difenilil)barbiturici [Italian];94209-48-0;D0Y7NV;Oprea1_691960;MLS001000776;5-ethyl-5-(4-phenylphenyl)-1,3-diazinane-2,4,6-trione;DTXSID20367041;HMS2827O03;BDBM50099119;STK760260;AKOS005616072;NCGC00245692-01;LS-23825;PD182497;SMR000498104;SR-01000286454;SR-01000286454-1;5-Ethyl-5-(4-biphenylyl)hexahydropyrimidine-2,4,6-trione;5-(4-biphenylyl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione;5-(biphenyl-4-yl)-5-ethylpyrimidine-2,4,6(1H,3H,5H)-trione;5-biphenyl-4-yl-5-ethylpyrimidine-2,4,6(1{H},3{H},5{H})-trione

Chemical Property of 5-(4-Biphenylyl)-5-ethylbarbituric acid

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 308.11609238
• Heavy Atom Count: 23
• Complexity: 469

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)C3=CC=CC=C3

Technology Process of 5-(4-Biphenylyl)-5-ethylbarbituric acid

There total 4 articles about 5-(4-Biphenylyl)-5-ethylbarbituric 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:

methyl 2-(1,1'-biphenyl-4-yl)acetate (59793-29-2) → 5-biphenyl-4-yl-5-ethyl-pyrimidine-2,4,6-trione (94209-48-0)

Guidance literature:

Multi-step reaction with 3 steps

1.1: NaH / tetrahydrofuran / Heating

2.1: NaH / tetrahydrofuran

2.2: tetrahydrofuran

3.1: Mg(OCH₃)2 / methanol / Heating

With sodium hydride; magnesium methanolate; In tetrahydrofuran; methanol;

DOI:10.1016/S0960-894X(01)00104-4

Reference yield:

dimethyl (4-biphenyl)malonate (156140-46-4) → 5-biphenyl-4-yl-5-ethyl-pyrimidine-2,4,6-trione (94209-48-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaH / tetrahydrofuran

1.2: tetrahydrofuran

2.1: Mg(OCH₃)2 / methanol / Heating

With sodium hydride; magnesium methanolate; In tetrahydrofuran; methanol;

DOI:10.1016/S0960-894X(01)00104-4

Reference yield:

urea (57-13-6) + 2-biphenyl-4-yl-2-ethyl-malonic acid dimethyl ester (349148-13-6) → 5-biphenyl-4-yl-5-ethyl-pyrimidine-2,4,6-trione (94209-48-0)

Guidance literature:

With magnesium methanolate; In methanol; Heating;

DOI:10.1016/S0960-894X(01)00104-4

upstream raw materials:

urea

2-biphenyl-4-yl-2-ethyl-malonic acid dimethyl ester

methyl 2-(1,1'-biphenyl-4-yl)acetate

dimethyl (4-biphenyl)malonate

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