5,5'-(1,4-Phenylenedimethylylidene)dipyrimidine-2,4,6(1h,3h,5h)-trione

Base Information

• Chemical Name: 5,5'-(1,4-Phenylenedimethylylidene)dipyrimidine-2,4,6(1h,3h,5h)-trione
• CAS No.: 23279-83-6
• Molecular Formula: C16H10 N4 O6
• Molecular Weight: 354.279
• NSC Number: 95915
• DSSTox Substance ID: DTXSID00294346
• Nikkaji Number: J821.110H
• Mol file: 23279-83-6.mol

Synonyms:23279-83-6;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1,4-phenylenedimethylidyne)bis-;5,5'-(1,4-phenylenedimethylylidene)dipyrimidine-2,4,6(1h,3h,5h)-trione;NSC95915;CBDivE_016136;SCHEMBL4428107;DTXSID00294346;NSC-95915;STK728388;AKOS000438315;5,5'-(1,4-phenylenebis(methanylylidene))bis(pyrimidine-2,4,6(1h,3h,5h)-trione);5,5'-(benzene-1,4-diyldimethylylidene)dipyrimidine-2,4,6(1H,3H,5H)-trione;5-[(4-{[2,4,6-TRIOXOTETRAHYDRO-5(2H)-PYRIMIDINYLIDEN]METHYL}PHENYL)METHYLENE]-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE

Chemical Property of 5,5'-(1,4-Phenylenedimethylylidene)dipyrimidine-2,4,6(1h,3h,5h)-trione

Chemical Property:

• XLogP3: 0
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 354.06003405
• Heavy Atom Count: 26
• Complexity: 679

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=C2C(=O)NC(=O)NC2=O)C=C3C(=O)NC(=O)NC3=O

Technology Process of 5,5'-(1,4-Phenylenedimethylylidene)dipyrimidine-2,4,6(1h,3h,5h)-trione

There total 2 articles about 5,5'-(1,4-Phenylenedimethylylidene)dipyrimidine-2,4,6(1h,3h,5h)-trione 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: 97.0%

BARBITURIC ACID (67-52-7,944357-77-1) + terephthalaldehyde, (623-27-8) → 5,5′-(1,4-phenylenebis(methanylylidene))bis(pyrimidine-2,4,6(1H,3H,5H)-trione) (23279-83-6)

Guidance literature:

With sulfuric acid-modified polyethyleneglycol-6000; In neat (no solvent); at 70 ℃; for 0.05h; Green chemistry;

DOI:10.1016/j.tetlet.2013.05.012

Reference yield:

→ 5,5′-(1,4-phenylenebis(methanylylidene))bis(pyrimidine-2,4,6(1H,3H,5H)-trione) (23279-83-6)

Guidance literature:

Barbitursaeure, Terphthalaldehyd I;

Reference yield: 91.0%

5,5′-(1,4-phenylenebis(methanylylidene))bis(pyrimidine-2,4,6(1H,3H,5H)-trione) (23279-83-6) → 5,5'-(1,4-phenylenebis(methylene))bis(pyrimidine-2,4,6(1H,3H,5H)-trione)

Guidance literature:

With acetic acid; zinc; Heating;

DOI:10.1016/S0040-4039(03)00111-4

upstream raw materials:

BARBITURIC ACID

terephthalaldehyde,

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