4,6(1H,5H)-Pyrimidinedione, dihydro-5-((2-hydroxyphenyl)methylene)-1-(2-methylphenyl)-3-(4-phenyl-2-thiazolyl)-2-thioxo-

Base Information

• Chemical Name: 4,6(1H,5H)-Pyrimidinedione, dihydro-5-((2-hydroxyphenyl)methylene)-1-(2-methylphenyl)-3-(4-phenyl-2-thiazolyl)-2-thioxo-
• CAS No.: 139356-87-9
• Molecular Formula: C₂₇H₁₉N₃O₃S₂
• Molecular Weight: 497.598
• Wikidata: Q76389200
• Mol file: 139356-87-9.mol

Synonyms:BRN 5365493;4,6(1H,5H)-Pyrimidinedione, dihydro-5-((2-hydroxyphenyl)methylene)-1-(2-methylphenyl)-3-(4-phenyl-2-thiazolyl)-2-thioxo-;139356-87-9;C27H19N3O3S2;C27-H19-N3-O3-S2;LS-135285

Chemical Property of 4,6(1H,5H)-Pyrimidinedione, dihydro-5-((2-hydroxyphenyl)methylene)-1-(2-methylphenyl)-3-(4-phenyl-2-thiazolyl)-2-thioxo-

Chemical Property:

• Vapor Pressure: 1.56E-19mmHg at 25°C
• Boiling Point: 687.5°C at 760 mmHg
• Flash Point: 369.6°C
• Density: 1.5g/cm³
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 497.08678382
• Heavy Atom Count: 35
• Complexity: 859

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1N2C(=O)C(=CC3=CC=CC=C3O)C(=O)N(C2=S)C4=NC(=CS4)C5=CC=CC=C5
• Isomeric SMILES: CC1=CC=CC=C1N2C(=O)/C(=C\C3=CC=CC=C3O)/C(=O)N(C2=S)C4=NC(=CS4)C5=CC=CC=C5

Technology Process of 4,6(1H,5H)-Pyrimidinedione, dihydro-5-((2-hydroxyphenyl)methylene)-1-(2-methylphenyl)-3-(4-phenyl-2-thiazolyl)-2-thioxo-

There total 4 articles about 4,6(1H,5H)-Pyrimidinedione, dihydro-5-((2-hydroxyphenyl)methylene)-1-(2-methylphenyl)-3-(4-phenyl-2-thiazolyl)-2-thioxo- 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-Amino-4-phenylthiazole (2010-06-2) → 5-[1-(2-Hydroxy-phenyl)-meth-(E)-ylidene]-1-(4-phenyl-thiazol-2-yl)-2-thioxo-3-o-tolyl-dihydro-pyrimidine-4,6-dione (139356-87-9)

Guidance literature:

Multi-step reaction with 3 steps

1: benzene / 8 h / Heating

2: acetyl chloride / 6 h / 40 °C

3: AcONa, CH₃COOH / 8 h / Heating

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

Reference yield:

2-tolyl isothiocyanate (614-69-7) → 5-[1-(2-Hydroxy-phenyl)-meth-(E)-ylidene]-1-(4-phenyl-thiazol-2-yl)-2-thioxo-3-o-tolyl-dihydro-pyrimidine-4,6-dione (139356-87-9)

Guidance literature:

Multi-step reaction with 3 steps

1: benzene / 8 h / Heating

2: acetyl chloride / 6 h / 40 °C

3: AcONa, CH₃COOH / 8 h / Heating

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

Reference yield:

o-T4PTTU (2982-43-6) → 5-[1-(2-Hydroxy-phenyl)-meth-(E)-ylidene]-1-(4-phenyl-thiazol-2-yl)-2-thioxo-3-o-tolyl-dihydro-pyrimidine-4,6-dione (139356-87-9)

Guidance literature:

Multi-step reaction with 2 steps

1: acetyl chloride / 6 h / 40 °C

2: AcONa, CH₃COOH / 8 h / Heating

With sodium acetate; acetic acid; acetyl chloride;

upstream raw materials:

salicylaldehyde

1-(4-Phenyl-thiazol-2-yl)-2-thioxo-3-o-tolyl-dihydro-pyrimidine-4,6-dione

o-T₄PTTU

2-Amino-4-phenylthiazole