3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(phenylazo)-

Base Information

• Chemical Name: 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(phenylazo)-
• CAS No.: 4314-14-1
• Deprecated CAS: 119371-24-3,137529-96-5,139361-96-9,166975-78-6,5577-43-5,59459-23-3,347383-14-6,392711-58-9,890719-21-8,137529-96-5,139361-96-9,166975-78-6,347383-14-6,392711-58-9,5577-43-5,59459-23-3,890719-21-8
• Molecular Formula: C16H14N4O
• Molecular Weight: 278.313
• Hs Code.: 3204120000
• European Community (EC) Number: 224-330-1
• DSSTox Substance ID: DTXSID5052098
• Nikkaji Number: J34.035I
• Wikipedia: Sudan_Yellow_3G
• ChEMBL ID: CHEMBL1555840
• Mol file: 4314-14-1.mol

Synonyms:4-phenylazo-1-phenyl-3-methyl-5-pyrazolone;C.I. 12,700;C.I. disperse yellow;sudan yellow 3G

Chemical Property of 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(phenylazo)-

Chemical Property:

• Appearance/Colour: orange to red powder
• Vapor Pressure: 1.3E-08mmHg at 25°C
• Melting Point: 155 °C
• Refractive Index: 1.649
• Boiling Point: 459.1 °C at 760 mmHg
• PKA: 1.45±0.70(Predicted)
• Flash Point: 231.5 °C
• PSA: 57.39000
• Density: 1.23 g/cm³
• LogP: 3.06220
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 278.11676108
• Heavy Atom Count: 21
• Complexity: 434

Purity/Quality:

99% ^*data from raw suppliers

SudanYellow146 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC=CC=C3
• Uses: Sudan Yellow 146 is used as additive for hair coloring agents.

Technology Process of 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(phenylazo)-

There total 2 articles about 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(phenylazo)- 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:

aniline (62-53-3) + edaravone (89-25-8) → 4-benzeneazo-3-methyl-1-phenyl-5-pyrazolone (4314-14-1,119371-24-3)

Guidance literature:

aniline; With hydrogenchloride; sodium nitrite; In water; at 5 ℃;

edaravone; With sodium carbonate; In water; for 0.2h; Concentration; Time; Cooling;

Reference yield:

→ 4-benzeneazo-3-methyl-1-phenyl-5-pyrazolone (4314-14-1,119371-24-3)

Guidance literature:

3-Methyl-4-hydroxymethylen-1-phenyl-pyrazolon-(5) in Eg. , Phenyldiazoniumchlorid;

Reference yield: 90.0%

methanol (67-56-1) + copper(II) acetate monohydrate (6046-93-1) + 4-benzeneazo-3-methyl-1-phenyl-5-pyrazolone (4314-14-1,119371-24-3) → bis(3-methyl-1-phenyl-4-phenylazo-5-pyrazolonato)copper bis(methanol) adduct

Guidance literature:

In methanol; Cu salt reacted with 2 equiv. ligand in MeOH;

DOI:10.1039/b101780m

upstream raw materials:

aniline

edaravone

Refernces