5-[(4-Methoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Base Information

• Chemical Name: 5-[(4-Methoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
• CAS No.: 57270-82-3
• Molecular Formula: C14H14N2O4
• Molecular Weight: 274.276
• NSC Number: 265534
• DSSTox Substance ID: DTXSID10313012
• Nikkaji Number: J972.450H
• ChEMBL ID: CHEMBL256878
• Mol file: 57270-82-3.mol

Synonyms:57270-82-3;CHEMBL256878;5-[(4-methoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;NSC 265534;5-(4-methoxybenzylidene)-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione;5-(4-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(4-methoxyphenyl)methylene]-1,3-dimethyl-;NSC265534;SCHEMBL3128647;DTXSID10313012;HMS1676A22;BDBM50375185;STK824350;AKOS000445035;NSC-265534;AB00076359-01;AG-690/11629158;1,3-Dimethyl-5-(4-methoxybenzylidene)barbituric acid;2,6(1H,3H,5H)-Pyrimidinetrione, 5-[(4-methoxyphenyl)methylene]-1,3-dimethyl-

Chemical Property of 5-[(4-Methoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Chemical Property:

• Vapor Pressure: 2.82E-07mmHg at 25°C
• Boiling Point: 420.4°Cat760mmHg
• Flash Point: 208°C
• PSA: 66.92000
• Density: 1.307g/cm³
• LogP: 1.00480
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 274.09535693
• Heavy Atom Count: 20
• Complexity: 438

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)C(=CC2=CC=C(C=C2)OC)C(=O)N(C1=O)C

Technology Process of 5-[(4-Methoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

There total 20 articles about 5-[(4-Methoxyphenyl)methylidene]-1,3-dimethyl-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: 98.0%

1,3-dimethylbarbituric acid (769-42-6) + 4-methoxy-benzaldehyde (123-11-5) → 5-(4-methoxy-benzylidene)-1,3-dimethyl-pyrimidine-2,4,6-trione (57270-82-3)

Guidance literature:

In ethanol; for 1h; Heating; other aromatic aldehyde;

Reference yield: 78.0%

6-Amino-1,3-dimethylbarbituric acid (6642-31-5) + 4-methoxy-benzaldehyde (123-11-5) → 5-(4-methoxy-benzylidene)-1,3-dimethyl-pyrimidine-2,4,6-trione (57270-82-3)

Guidance literature:

With cycl-isopropylidene malonate; N-benzyl-N,N,N-triethylammonium chloride; water; at 90 ℃; for 22h;

DOI:10.1002/cjoc.201090148

Reference yield: 60.0%

1,3-dimethylbarbituric acid (769-42-6) + 4-methoxy-benzaldehyde (123-11-5) → 5-(4-methoxyphenyl)-1,1',3,3'-tetramethyl-1,5-dihydro-2H,2'H-spiro[furo[2,3-d]pyrimidine-6,5'-pyrimidine]-2,2',4,4',6'(1'H,3H,3'H)-pentaone (1260431-64-8) + 5-(4-methoxy-benzylidene)-1,3-dimethyl-pyrimidine-2,4,6-trione (57270-82-3)

Guidance literature:

With bromocyane; L-Tartaric acid; In methanol; at 0 - 20 ℃; screw cap tube;

DOI:10.5012/bkcs.2011.32.9.3382

upstream raw materials:

1,3-dimethylbarbituric acid

4-methoxy-benzaldehyde

6-Amino-1,3-dimethylbarbituric acid

5-(4-methoxybenzyl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione