2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2-chlorophenyl)methylene]-

Base Information

• Chemical Name: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2-chlorophenyl)methylene]-
• CAS No.: 57270-78-7
• Molecular Formula: C11H7ClN2O3
• Molecular Weight: 250.641
• NSC Number: 636613,95880
• DSSTox Substance ID: DTXSID70294338
• Nikkaji Number: J1.289.312D

Synonyms:57270-78-7;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2-chlorophenyl)methylene]-;NSC636613;5-(2-Chlorobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione;5-[(2-chlorophenyl)methylidene]-1,3-diazinane-2,4,6-trione;NSC95880;CBMicro_006435;NCIOpen2_006101;SCHEMBL14181823;DTXSID70294338;FMAIJMYTMYNJHJ-UHFFFAOYSA-N;SMSF0003596;NSC-95880;STK414993;AKOS001486866;CB08689;NSC-636613;BIM-0006564.P001;5-(2-Chlorobenzylidene)hexahydropyrimidine-2,4,6-trione;5-(2-Chlorobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione #;5-(2-chlorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione;5-[(2-chlorophenyl)methylene]hexahydropyrimidine-2,4,6-trione

Chemical Property of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2-chlorophenyl)methylene]-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.494g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 250.0145198
• Heavy Atom Count: 17
• Complexity: 384

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=C2C(=O)NC(=O)NC2=O)Cl

Technology Process of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2-chlorophenyl)methylene]-

There total 2 articles about 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2-chlorophenyl)methylene]- 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: 80.0%

4-Amino-2,6-dihydroxypyrimidine (873-83-6) + 2-chloro-benzaldehyde (89-98-5) → 5-(2-chlorophenyl)methylenepyrimidine-2,4,6(1H,3H)-trione (57270-78-7)

Guidance literature:

With iron(III) chloride hexahydrate; water; for 0.583333h; Reflux; Green chemistry;

DOI:10.1039/c4ra03413a

Reference yield:

BARBITURIC ACID (67-52-7,944357-77-1) + 2-chloro-benzaldehyde (89-98-5) → C15H9ClN4O6 + 5-(2-chlorophenyl)methylenepyrimidine-2,4,6(1H,3H)-trione (57270-78-7)

Guidance literature:

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

DOI:10.5012/bkcs.2011.32.9.3382

Reference yield: 87.0%

2-amino-benzenethiol (137-07-5) + 5-(2-chlorophenyl)methylenepyrimidine-2,4,6(1H,3H)-trione (57270-78-7) → 2-(2-chlorophenyl)-1,3-benzothiazole (6269-46-1)

Guidance literature:

In ethanol; for 5h; Reflux;

DOI:10.2174/1570178614666171129162905

upstream raw materials:

BARBITURIC ACID

2-chloro-benzaldehyde

4-Amino-2,6-dihydroxypyrimidine

Downstream raw materials:

2-amino-4-(2-chlorophenyl)-6-(piperidin-1-yl)pyridine-3,5-dicarbonitrile

9-(2-chlorophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-2H-xanthen-1,8-dione

5-(2-chlorobenzyl)barbituric acid

5-chloro-5-(2-chlorobenzyl)barbituric acid

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