(5E)-5-benzylidene-1-phenyl-1,3-diazinane-2,4,6-trione

Base Information

• Chemical Name: (5E)-5-benzylidene-1-phenyl-1,3-diazinane-2,4,6-trione
• CAS No.: 68160-64-5
• Molecular Formula: C₁₇H₁₂N₂O₃
• Molecular Weight: 292.294
• NSC Number: 85063
• Nikkaji Number: J1.421.648K

Synonyms:(5E)-5-benzylidene-1-phenyl-1,3-diazinane-2,4,6-trione;68160-64-5;5-benzylidene-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione;1-Phenyl-5-benzylidenepyrimidine-2,4,6(1H,3H,5H)-trione;NSC85063;HMS1585C01;NSC-85063;SR-01000223516;SR-01000223516-1

Chemical Property of (5E)-5-benzylidene-1-phenyl-1,3-diazinane-2,4,6-trione

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.359g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 292.08479225
• Heavy Atom Count: 22
• Complexity: 500

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=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=CC=C3

Technology Process of (5E)-5-benzylidene-1-phenyl-1,3-diazinane-2,4,6-trione

There total 4 articles about (5E)-5-benzylidene-1-phenyl-1,3-diazinane-2,4,6-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:

2-anilino-5-benzylidene-1-phenyl-1H-pyrimidine-4,6-dione (114842-31-8) → 5-benzylidene-1-phenyl-pyrimidine-2,4,6-trione (68160-64-5)

Guidance literature:

With hydrogenchloride; acetic acid;

DOI:10.1021/ja01580a027

Reference yield:

phenyl carbamate (64-10-8) → 5-benzylidene-1-phenyl-pyrimidine-2,4,6-trione (68160-64-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium methylate

With sodium methylate;

DOI:10.1021/ja01170a004

Reference yield:

1-phenyl-pyrimidine-2,4,6-trione (15018-50-5) + benzaldehyde (100-52-7) → 5-benzylidene-1-phenyl-pyrimidine-2,4,6-trione (68160-64-5)

Guidance literature:

DOI:10.1021/ja01170a004

upstream raw materials:

1-phenyl-pyrimidine-2,4,6-trione

benzaldehyde

2-anilino-5-benzylidene-1-phenyl-1H-pyrimidine-4,6-dione

phenyl carbamate

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