3-(4-Oxo-2-phenyl-4H-1-benzopyran-6-yl)-5-phenyl-4,5-Dihydro-1H-pyrazole-1-carboxaldehyde

Base Information

• Chemical Name: 3-(4-Oxo-2-phenyl-4H-1-benzopyran-6-yl)-5-phenyl-4,5-Dihydro-1H-pyrazole-1-carboxaldehyde
• CAS No.: 154185-80-5
• Molecular Formula: C₂₅H₁₈N₂O₃
• Molecular Weight: 394.43
• DSSTox Substance ID: DTXSID90934941
• Mol file: 154185-80-5.mol

Synonyms:3-(4-Oxo-2-phenyl-4H-1-benzopyran-6-yl)-5-phenyl-4,5-Dihydro-1H-pyrazole-1-carboxaldehyde;1H-Pyrazole-1-carboxaldehyde, 4,5-dihydro-3-(4-oxo-2-phenyl-4H-1-benzopyran-6-yl)-5-phenyl-;154185-80-5;DTXSID90934941;LS-128098;3-(4-Oxo-2-phenyl-4H-1-benzopyran-6-yl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbaldehyde

Chemical Property of 3-(4-Oxo-2-phenyl-4H-1-benzopyran-6-yl)-5-phenyl-4,5-Dihydro-1H-pyrazole-1-carboxaldehyde

Chemical Property:

• Vapor Pressure: 2.98E-14mmHg at 25°C
• Boiling Point: 597.8°C at 760 mmHg
• Flash Point: 315.3°C
• Density: 1.27g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 394.13174244
• Heavy Atom Count: 30
• Complexity: 718

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N(N=C1C2=CC3=C(C=C2)OC(=CC3=O)C4=CC=CC=C4)C=O)C5=CC=CC=C5

Technology Process of 3-(4-Oxo-2-phenyl-4H-1-benzopyran-6-yl)-5-phenyl-4,5-Dihydro-1H-pyrazole-1-carboxaldehyde

There total 5 articles about 3-(4-Oxo-2-phenyl-4H-1-benzopyran-6-yl)-5-phenyl-4,5-Dihydro-1H-pyrazole-1-carboxaldehyde 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: 84.0%

formic acid (64-18-6) + 2-Phenyl-6-[(E)-(3-phenyl-acryloyl)]-chromen-4-one (958828-21-2) → 3-(4-Oxo-2-phenyl-4H-chromen-6-yl)-5-phenyl-4,5-dihydro-pyrazole-1-carbaldehyde (154185-80-5)

Guidance literature:

With hydrazine hydrate; for 7h; Heating;

Reference yield:

2,4-diacetylphenol (30186-16-4) → 3-(4-Oxo-2-phenyl-4H-chromen-6-yl)-5-phenyl-4,5-dihydro-pyrazole-1-carbaldehyde (154185-80-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 90 percent / KOH / methanol

2: 90 percent / iodine / dimethylsulfoxide / 0.25 h

3: 84 percent / 99percent hydrazine hydrate / 7 h / Heating

With potassium hydroxide; iodine; hydrazine hydrate; In methanol; dimethyl sulfoxide;

Reference yield:

2,4-bis(cinnamoyl)phenol (102145-59-5) → 3-(4-Oxo-2-phenyl-4H-chromen-6-yl)-5-phenyl-4,5-dihydro-pyrazole-1-carbaldehyde (154185-80-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / iodine / dimethylsulfoxide / 0.25 h

2: 84 percent / 99percent hydrazine hydrate / 7 h / Heating

With iodine; hydrazine hydrate; In dimethyl sulfoxide;

upstream raw materials:

formic acid

2-Phenyl-6-[(E)-(3-phenyl-acryloyl)]-chromen-4-one

2,4-diacetylphenol

2,4-bis(cinnamoyl)phenol