4,6(1H,5H)-Pyrimidinedione, dihydro-1-(3-fluorophenyl)-5-((3-nitrophenyl)methylene)-2-thioxo-3-(2,4,6-trimethylphenyl)-

Base Information

Chemical Name:4,6(1H,5H)-Pyrimidinedione, dihydro-1-(3-fluorophenyl)-5-((3-nitrophenyl)methylene)-2-thioxo-3-(2,4,6-trimethylphenyl)-
CAS No.:79838-93-0
Molecular Formula:C₂₆H₂₀FN₃O₄S
Molecular Weight:489.527
Hs Code.:
Wikidata:Q76388130

Synonyms:BRN 4613403;4,6(1H,5H)-Pyrimidinedione, dihydro-1-(3-fluorophenyl)-5-((3-nitrophenyl)methylene)-2-thioxo-3-(2,4,6-trimethylphenyl)-;79838-93-0;C26H20FN3O4S;LS-135277

Suppliers and Price of 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(3-fluorophenyl)-5-((3-nitrophenyl)methylene)-2-thioxo-3-(2,4,6-trimethylphenyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(3-fluorophenyl)-5-((3-nitrophenyl)methylene)-2-thioxo-3-(2,4,6-trimethylphenyl)-

Chemical Property:

Vapor Pressure:5.47E-16mmHg at 25°C
Boiling Point:634.2°Cat760mmHg
Flash Point:337.3°C
Density:1.43g/cm³
XLogP3:6.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:489.11585546
Heavy Atom Count:35
Complexity:894

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C(=C1)C)N2C(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)N(C2=S)C4=CC(=CC=C4)F)C
Isomeric SMILES:CC1=CC(=C(C(=C1)C)N2C(=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/C(=O)N(C2=S)C4=CC(=CC=C4)F)C

Technology Process of 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(3-fluorophenyl)-5-((3-nitrophenyl)methylene)-2-thioxo-3-(2,4,6-trimethylphenyl)-

There total 4 articles about 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(3-fluorophenyl)-5-((3-nitrophenyl)methylene)-2-thioxo-3-(2,4,6-trimethylphenyl)- 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: 70.0%

: 99-61-6
3-nitro-benzaldehyde

: 79838-82-7
1-(m-Fluorophenyl)-3-(2',4',6'-trimethylphenyl)thiobarbituric acid

: 79838-93-0
1-(3-Fluoro-phenyl)-5-[1-(3-nitro-phenyl)-meth-(Z)-ylidene]-2-thioxo-3-(2,4,6-trimethyl-phenyl)-dihydro-pyrimidine-4,6-dione

Guidance literature:: With sodium acetate; In acetic acid; for 8h; Heating;

Reference yield:

: 404-72-8
3-fluorophenyl isothiocyanate

: 79838-93-0
1-(3-Fluoro-phenyl)-5-[1-(3-nitro-phenyl)-meth-(Z)-ylidene]-2-thioxo-3-(2,4,6-trimethyl-phenyl)-dihydro-pyrimidine-4,6-dione

Guidance literature:: Multi-step reaction with 3 steps

1: 50 percent / benzene / 2 h / Heating

2: 60 percent / CH₃COCl / 6 h / Heating

3: 70 percent / sodium acetate / acetic acid / 8 h / Heating

With sodium acetate; acetyl chloride; In acetic acid; benzene;

Reference yield:

: 79838-79-2
1-(m-Fluorophenyl)-3-(2',4',6'-trimethylphenyl)thiourea

: 79838-93-0
1-(3-Fluoro-phenyl)-5-[1-(3-nitro-phenyl)-meth-(Z)-ylidene]-2-thioxo-3-(2,4,6-trimethyl-phenyl)-dihydro-pyrimidine-4,6-dione

Guidance literature:: Multi-step reaction with 2 steps

1: 60 percent / CH₃COCl / 6 h / Heating

2: 70 percent / sodium acetate / acetic acid / 8 h / Heating

With sodium acetate; acetyl chloride; In acetic acid;