2-(3-chlorophenyl)-5-methyl-2,3-dihydro-1H-pyrazol-3-one

Base Information

• Chemical Name: 2-(3-chlorophenyl)-5-methyl-2,3-dihydro-1H-pyrazol-3-one
• CAS No.: 90-31-3
• Deprecated CAS: 114138-51-1
• Molecular Formula: C10H9ClN2O
• Molecular Weight: 208.647
• Hs Code.: 2933199090
• UNII: 76806T6L7I
• Nikkaji Number: J3.172.068K
• Mol file: 90-31-3.mol

Synonyms:20629-91-8;2-(3-chlorophenyl)-5-methyl-2,3-dihydro-1H-pyrazol-3-one;1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-ol;2-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-one;2-(3-chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one;cid_66656;SCHEMBL4023307;BDBM71133;HRBCDVLFVGOSIC-UHFFFAOYSA-N;BBL035504;STL426751;AKOS009031169;AKOS015889653;3-methyl-1-metachlorophenyl-5-pyrazolone;DA-28463;DB-045314;EN300-20885;2-(3-chlorophenyl)-5-methyl-2-pyrazolin-3-one;A843500;1-(3'-CHLOROPHENYL)-3-METHYL-2-PYRAZOLIN-5-ONE;1-(3-CHLOROPHENYL)-3-METHYL-4,5-DIHYDROPYRAZOLE-5-ONE

Chemical Property of 2-(3-chlorophenyl)-5-methyl-2,3-dihydro-1H-pyrazol-3-one

Chemical Property:

• Vapor Pressure: 4.57E-06mmHg at 25°C
• Melting Point: 128-131 °C(lit.)
• Refractive Index: 1.625
• Boiling Point: 382.9 °C at 760 mmHg
• PKA: 2.18±0.50(Predicted)
• Flash Point: 185.4 °C
• PSA: 32.67000
• Density: 1.32 g/cm³
• LogP: 1.95320
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• 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-(3-Chlorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=O)N(N1)C2=CC(=CC=C2)Cl

Technology Process of 2-(3-chlorophenyl)-5-methyl-2,3-dihydro-1H-pyrazol-3-one

There total 6 articles about 2-(3-chlorophenyl)-5-methyl-2,3-dihydro-1H-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: 94.5%

4-methyleneoxetan-2-one (674-82-8,2130-41-8) + 3-chlorophenyl hydrazine (14763-20-3) → 3-methyl-1-(3-chlorophenyl)-2-pyrazolin-5-one (90-31-3)

Guidance literature:

4-methyleneoxetan-2-one; With ammonium hydroxide; at 5 ℃; for 3h;

3-chlorophenyl hydrazine; at 40 ℃; for 1.5h;

With hydrogenchloride; In water; for 1h; pH=3;

Reference yield: 35.6%

→ 3-methyl-1-(3-chlorophenyl)-2-pyrazolin-5-one (90-31-3)

Guidance literature:

Reference yield:

m-chlorophenylhydrazine hydrochloride (2312-23-4) + ethyl acetoacetate (141-97-9) → 3-methyl-1-(3-chlorophenyl)-2-pyrazolin-5-one (90-31-3)

Guidance literature:

With triethylamine; In ethanol; at 60 ℃; for 24h; Reflux;

DOI:10.1016/j.tetlet.2012.09.096

upstream raw materials:

C₃₈H₃₄Cl₂N₆O₃

ethyl acetoacetate

3-chlorophenyl hydrazine

m-chlorophenylhydrazine hydrochloride

Downstream raw materials:

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

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

1-(3-chlorophenyl)-3,4-dimethylpyrano<2,3-c>pyrazole-6(1H)-one

3-[1-(3-Chloro-phenyl)-3-methyl-5-oxo-1,5-dihydro-pyrazol-(4Z)-ylidene]-butyric acid ethyl ester