2,4-Dihydro-5-methyl-2-phenyl-4-(phenylimino)-3H-pyrazol-3-one

Base Information

• Chemical Name: 2,4-Dihydro-5-methyl-2-phenyl-4-(phenylimino)-3H-pyrazol-3-one
• CAS No.: 27807-95-0
• Molecular Formula: C₁₆H₁₃N₃O
• Molecular Weight: 263.299
• Mol file: 27807-95-0.mol

Synonyms:5-methyl-2-phenyl-4-phenylimino-2,4-dihydro-pyrazol-3-one;3H-Pyrazol-3-one,2,4-dihydro-5-methyl-2-phenyl-4-(phenylimino);2-Pyrazolin-5-one,3-methyl-1-phenyl-4-(phenylimino);3-methyl-1-phenyl-4-(phenylazamethylene)-1,2-diazolin-5-one;2,4-dihydro-5-methyl-2-phenyl-4-(phenylimino)-3H-pyrazol-3-one;

Chemical Property of 2,4-Dihydro-5-methyl-2-phenyl-4-(phenylimino)-3H-pyrazol-3-one

Chemical Property:

• Melting Point: 106 °C(Solv: ethanol (64-17-5))
• Boiling Point: 391.7±25.0 °C(Predicted)
• PKA: -0.18±0.40(Predicted)
• PSA: 45.03000
• Density: 1.18±0.1 g/cm3(Predicted)
• LogP: 2.68240

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,4-Dihydro-5-methyl-2-phenyl-4-(phenylimino)-3H-pyrazol-3-one

There total 2 articles about 2,4-Dihydro-5-methyl-2-phenyl-4-(phenylimino)-3H-pyrazol-3-one 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:

Nitrosobenzene (586-96-9) + edaravone (89-25-8) → (E)-5-methyl-2-phenyl-4-(phenylimino)-2,4-dihydro-3H-pyrazol-3-one (117985-05-4) + (Z)-5-methyl-2-phenyl-4-(phenylimino)-2,4-dihydro-3H-pyrazol-3-one (27807-95-0,117985-05-4)

Guidance literature:

With 2-tert-butylimino-2-diethylamino-1,3-dimethyl-perhydro-1,3,2-diazaphosphorine; In dichloromethane; at 20 ℃; for 0.5h; Overall yield = 56 percent; Overall yield = 59 mg; diastereoselective reaction; Molecular sieve; Inert atmosphere;

DOI:10.1002/adsc.202000855

Reference yield:

(E)-5-methyl-2-phenyl-4-(phenylimino)-2,4-dihydro-3H-pyrazol-3-one (117985-05-4) → (Z)-5-methyl-2-phenyl-4-(phenylimino)-2,4-dihydro-3H-pyrazol-3-one (27807-95-0,117985-05-4)

Guidance literature:

In benzene; at 25 ℃; under 750.06 Torr; Rate constant; Thermodynamic data; ΔV (excit.) var.pressure, solvent;

DOI:10.1021/jo00263a022

Reference yield: 43.0%

malononitrile (109-77-3) + (Z)-5-methyl-2-phenyl-4-(phenylimino)-2,4-dihydro-3H-pyrazol-3-one (27807-95-0,117985-05-4) → 2-phenylamino-2-(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)ethanenitrile (119837-10-4)

Guidance literature:

In ethanol; for 0.5h; Heating;

DOI:10.1002/prac.19933350411

upstream raw materials:

(E)-5-methyl-2-phenyl-4-(phenylimino)-2,4-dihydro-3H-pyrazol-3-one

Nitrosobenzene

edaravone

Downstream raw materials:

2-phenylamino-2-(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)ethanenitrile