5-((4-(Dimethylamino)phenyl)methylene)-1,3-dimethylbarbituric acid

Base Information

• Chemical Name: 5-((4-(Dimethylamino)phenyl)methylene)-1,3-dimethylbarbituric acid
• CAS No.: 57270-81-2
• Molecular Formula: C15H17 N3 O3
• Molecular Weight: 287.318
• European Community (EC) Number: 260-658-1
• NSC Number: 266135
• UNII: W3Z3JV25J5
• DSSTox Substance ID: DTXSID80205894
• Nikkaji Number: J349.124B
• ChEMBL ID: CHEMBL404233
• Mol file: 57270-81-2.mol

Synonyms:57270-81-2;5-((4-(Dimethylamino)phenyl)methylene)-1,3-dimethylbarbituric acid;5-[[4-(DIMETHYLAMINO)PHENYL]METHYLENE]-1,3-DIMETHYLBARBITURIC ACID;CHEMBL404233;EINECS 260-658-1;NSC-266135;5-[[4-(dimethylamino)phenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-[4-(dimethylamino)benzylidene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione;5-[4-(dimethylamino)benzylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione;NSC266135;SCHEMBL125194;W3Z3JV25J5;DTXSID80205894;5-(4-Dimethylamino-benzylidene)-1,3-dimethyl-pyrimidine-2,4,6-trione;BDBM50375176;STK708157;AKOS000532641;NSC 266135;AG-205/09850054;Z44299031;1,3-Dimethyl-5-[4-(dimethylamino)benzylidene]barbituric acid;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[4-(dimethylamino)phenyl]methylene]-1,3-dimethyl-

Chemical Property of 5-((4-(Dimethylamino)phenyl)methylene)-1,3-dimethylbarbituric acid

Chemical Property:

• Vapor Pressure: 7.25E-08mmHg at 25°C
• Boiling Point: 437.8°Cat760mmHg
• Flash Point: 193.5°C
• PSA: 60.93000
• Density: 1.283g/cm³
• LogP: 1.06220
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 287.12699141
• Heavy Atom Count: 21
• Complexity: 464

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-((4-(Dimethylamino)phenyl)methylene)-1,3-dimethylbarbituric acid

There total 5 articles about 5-((4-(Dimethylamino)phenyl)methylene)-1,3-dimethylbarbituric 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: 100.0%

1,3-dimethylbarbituric acid (769-42-6) + 4-dimethylamino-benzaldehyde (100-10-7) → 5-(4-dimethylamino-benzylidene)-1,3-dimethyl-pyrimidine-2,4,6-trione (57270-81-2)

Guidance literature:

In methanol; Reflux;

DOI:10.1039/c3dt52824c

Reference yield: 89.0%

1,3-dimethylbarbituric acid (769-42-6) + N,N-dimethyl-4-((phenylimino)methyl)aniline (889-37-2,1613-99-6) → 5-(4-dimethylamino-benzylidene)-1,3-dimethyl-pyrimidine-2,4,6-trione (57270-81-2)

Guidance literature:

In ethanol; Ambient temperature;

DOI:10.1007/BF00816851

Reference yield: 75.0%

6-Amino-1,3-dimethylbarbituric acid (6642-31-5) + 4-dimethylamino-benzaldehyde (100-10-7) → 5-(4-dimethylamino-benzylidene)-1,3-dimethyl-pyrimidine-2,4,6-trione (57270-81-2)

Guidance literature:

With cycl-isopropylidene malonate; N-benzyl-N,N,N-triethylammonium chloride; water; at 90 ℃; for 24h;

DOI:10.1002/cjoc.201090148

upstream raw materials:

1,3-dimethylbarbituric acid

N,N-dimethyl-4-((phenylimino)methyl)aniline

4-dimethylamino-benzaldehyde

6-Amino-1,3-dimethylbarbituric acid

Downstream raw materials:

5-benzylidene-1,3-dimethyl-pyrimidine-2,4,6-trione

4-dimethylamino-benzaldehyde

7,9-dimethyl-4-(4-dimethylaminophenyl)-1,3-diphenyl-1,2,7,9-tetraaza-spiro[4.5]dec-2-ene-6,8,10-trione

4-(6-(4-(dimethylamino)phenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4,5,6-hexahydrofuro[2,3-d]pyrimidin-5-yl)benzonitrile