1-(2-Chlorophenyl)-3-methyl-2-pyrazolin-5-one

Base Information

• Chemical Name: 1-(2-Chlorophenyl)-3-methyl-2-pyrazolin-5-one
• CAS No.: 14580-22-4
• Molecular Formula: C10H9ClN2O
• Molecular Weight: 208.647
• Hs Code.: 2933199090
• European Community (EC) Number: 238-623-7
• DSSTox Substance ID: DTXSID3065790
• Nikkaji Number: J182.610G
• Wikidata: Q72457220
• Mol file: 14580-22-4.mol

Synonyms:14580-22-4;1-(2-Chlorophenyl)-3-methyl-2-pyrazolin-5-one;1-(2-Chlorophenyl)-3-methyl-1H-pyrazol-5(4H)-one;1-(2-Chlorophenyl)-3-methyl-5-pyrazolone;2-(2-chlorophenyl)-5-methyl-4H-pyrazol-3-one;3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl-;1-(2'-Chlorophenyl)-3-methyl-5-pyrazolone;2-(2-Chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one;EINECS 238-623-7;2-(2-Chlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one;Chlorophenylmethylpyrazolone;TRI-N-BUTYLTINFLUORIDE;SCHEMBL3407787;DTXSID3065790;1-(2-chlorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one;STK362904;AKOS001034474;AKOS025243317;CS-W015194;AS-47236;C3414;FT-0637106;EN300-01279;F12773;1-(2-Chlorophenyl)-3-methyl-5(4H)-pyrazolone;SR-01000028297;2-Pyrazolin-5-one, 1-(o-chlorophenyl)-3-methyl-;SR-01000028297-1;W-108133;Z50146565;1-(2-Chlorophenyl)-3-methyl-2-pyrazolin-5-one, 97%;2-(2-Chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one #

Chemical Property of 1-(2-Chlorophenyl)-3-methyl-2-pyrazolin-5-one

Chemical Property:

• Appearance/Colour: yellow to brown crystalline powder
• Vapor Pressure: 2.04E-05mmHg at 25°C
• Melting Point: 193-197 °C(lit.)
• Refractive Index: 1.625
• Boiling Point: 361.6 °C at 760 mmHg
• PKA: 2.05±0.50(Predicted)
• Flash Point: 172.5 °C
• PSA: 32.67000
• Density: 1.32 g/cm³
• LogP: 1.95320
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 208.0403406
• Heavy Atom Count: 14
• Complexity: 277

Purity/Quality:

99% ^*data from raw suppliers

1-(2-Chlorophenyl)-3-methyl-5-pyrazolone >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=NN(C(=O)C1)C2=CC=CC=C2Cl
• Uses: 1-(2-Chlorophenyl)-3-methyl-2-pyrazolin-5-one may be used in the preparation of 1-(2-chlorophenyl)-3-methylchromeno[2,3-c]pyrazol-4(1H)-one, a heterocyclic analog of xanthone.

Technology Process of 1-(2-Chlorophenyl)-3-methyl-2-pyrazolin-5-one

There total 6 articles about 1-(2-Chlorophenyl)-3-methyl-2-pyrazolin-5-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: 77.0%

edaravone (89-25-8) → 2-(2-chlorophenyl)-5-methyl-2,4-dihydropyrazol-3-one (14580-22-4)

Guidance literature:

With N-chloro-succinimide; C₁₂H₁₆Cl₂N₄OPdS; silver(l) oxide; In acetonitrile; at 80 ℃; for 8h; Reagent/catalyst; Solvent; Time; regioselective reaction;

DOI:10.1039/c5cy00137d

Reference yield: 76.0%

C10H11ClN2O → 2-(2-chlorophenyl)-5-methyl-2,4-dihydropyrazol-3-one (14580-22-4)

Guidance literature:

With sodium anthraquinone-2-sulfonate; palladium diacetate; potassium carbonate; In chlorobenzene; at 110 ℃; for 6h;

DOI:10.1016/j.tetlet.2019.03.063

Reference yield:

ethyl acetoacetate (141-97-9) + (2-chlorophenyl)hydrazine (10449-07-7) → 2-(2-chlorophenyl)-5-methyl-2,4-dihydropyrazol-3-one (14580-22-4)

Guidance literature:

In ethanol; Heating;

DOI:10.1071/CH09607

upstream raw materials:

ethyl acetoacetate

(2-chlorophenyl)hydrazine

o-chlorophenylhydrazine hydrochloride

edaravone

Downstream raw materials:

2-(2-chloro-phenyl)-4-furfurylidene-5-methyl-2,4-dihydro-pyrazol-3-one

2-(2-chloro-phenyl)-5-methyl-4-(5-nitro-furan-2-ylmethylene)-2,4-dihydro-pyrazol-3-one

6-amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1-(2-chlorophenyl)-4,5-dihydro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine

5-(2-chlorophenyl)-1,1-dioxo-7-methyl-3-pyrrolidin-1-yl-1λ6-pyrazolo[4,3-e][1,4,3]oxathiazine