4-TRIFLUOROACETYL-3-METHYL-1-PHENYL-5-PYRAZOLONE

Base Information

• Chemical Name: 4-TRIFLUOROACETYL-3-METHYL-1-PHENYL-5-PYRAZOLONE
• CAS No.: 1691-93-6
• Molecular Formula: C12H9 F3 N2 O2
• Molecular Weight: 270.211
• Hs Code.: 29332900
• Mol file: 1691-93-6.mol

Synonyms:2-Pyrazolin-5-one,3-methyl-1-phenyl-4-(trifluoroacetyl)- (7CI,8CI); 3H-Pyrazol-3-one,2,4-dihydro-5-methyl-2-phenyl-4-(trifluoroacetyl)- (9CI);1-Phenyl-3-methyl-4-trifluoroacetylpyrazol-5-one;3-Methyl-1-phenyl-4-(trifluoroacetyl)-5-pyrazolone;3-Methyl-1-phenyl-4-trifluoroacetyl-2-pyrazolin-5-one;3-Methyl-1-phenyl-4-trifluoroacetylpyrazolin-5-one;4-Trifluoroacetyl-3-methyl-1-phenylpyrazol-5-one; HPMTFP

Chemical Property of 4-TRIFLUOROACETYL-3-METHYL-1-PHENYL-5-PYRAZOLONE

Chemical Property:

• Vapor Pressure: 0.00195mmHg at 25°C
• Melting Point: 145-148 °C
• Refractive Index: 1.525
• Boiling Point: 291.4°C at 760 mmHg
• PKA: 2.87±0.70(Predicted)
• Flash Point: 130°C
• PSA: 49.74000
• Density: 1.397g/cm³
• LogP: 1.65730

Purity/Quality:

97% ^*data from raw suppliers

4-Trifluoroacetyl-3-methyl-1-phenyl-5-pyrazolone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-TRIFLUOROACETYL-3-METHYL-1-PHENYL-5-PYRAZOLONE

There total 1 articles about 4-TRIFLUOROACETYL-3-METHYL-1-PHENYL-5-PYRAZOLONE 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:

trifluoracetyl chloride (354-32-5) + edaravone (89-25-8) → (Z)-3-methyl-1-phenyl-4-(2,2,2-trifluoro-1-hydroxyethylidene)-1H-pyrazol-5(4H)-one (1691-93-6)

Guidance literature:

With calcium oxide; In 1,4-dioxane; at 85 - 90 ℃; for 1h;

DOI:10.1023/B:JOSL.0000048052.86416.76

Reference yield: 96.0%

vanadia + (Z)-3-methyl-1-phenyl-4-(2,2,2-trifluoro-1-hydroxyethylidene)-1H-pyrazol-5(4H)-one (1691-93-6) → {VO(C3N2O(CH3)(C6H5)(COCF3))2}

Guidance literature:

With ethanol; In hydrogenchloride; ethanol; dissolving of V2O5 in a mixt. of HCl and 95% ethanol; diln. with distd. H2O; dropwise addn. of the warm soln. to a soln. of 1-phenyl-3-methyl-4-trifluoroacetylpyrazolone-5 in 95% ethanol;; ppt.; filtration; washed with H2O; dried in air; stored over fused CaCl2 in a desiccator; elem. anal.;;

Reference yield: 85.0%

lanthanum(III) trichloride hexahydrate + [Zn(N,N'-bis(salicylidene)cyclohexane-1,2-diamine)(4-vinyl-pyridine)] + (Z)-3-methyl-1-phenyl-4-(2,2,2-trifluoro-1-hydroxyethylidene)-1H-pyrazol-5(4H)-one (1691-93-6) → [Zn(N,N'-bis(salicylidene)cyclohexane-1,2-diamine)(4-vinyl-Py)La(3-methyl-1-phenyl-4-(2,2,2-trifluoro-1-hydroxyethylidene)-1H-pyrazol-5(4H)-one)3]

Guidance literature:

(Z)-3-methyl-1-phenyl-4-(2,2,2-trifluoro-1-hydroxyethylidene)-1H-pyrazol-5(4H)-one; With sodium hydroxide; In methanol; at 20 ℃; for 2h;

lanthanum(III) trichloride hexahydrate; In methanol; at 20 ℃; for 2h;

[Zn(N,N'-bis(salicylidene)cyclohexane-1,2-diamine)(4-vinyl-pyridine)]; In methanol; for 5h; Inert atmosphere; Reflux;

DOI:10.1039/c7tc05400a

upstream raw materials:

trifluoracetyl chloride

edaravone