1-(4-Methylphenyl)pyrazolidin-3-one

Base Information

• Chemical Name: 1-(4-Methylphenyl)pyrazolidin-3-one
• CAS No.: 3352-86-1
• Molecular Formula: C10H12N2O
• Molecular Weight: 176.218
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10365591
• Nikkaji Number: J40.201J
• Wikidata: Q82150377
• ChEMBL ID: CHEMBL29508
• Mol file: 3352-86-1.mol

Synonyms:1-(4-methylphenyl)pyrazolidin-3-one;3352-86-1;1-(p-Tolyl)pyrazolidin-3-one;CHEMBL29508;1-p-Tolyl-pyrazolidin-3-one;31289-17-5;3-Pyrazolidinone, 1-(4-methylphenyl)-;3-HYDROXY-1-(4-METHYLPHENYL)-4,5-DIHYDRO-1H-PYRAZOLE;1-p-tolyl-3-pyrazolidinone;Oprea1_250793;1-(p-tolyl)-3-pyrazolidone;SCHEMBL2382690;DTXSID10365591;HMS1577I03;BDBM50280198;STL328600;AKOS006333326;AKOS016033463;3-Hydroxy-1-(4-methylphenyl)-2-pyrazoline

Chemical Property of 1-(4-Methylphenyl)pyrazolidin-3-one

Chemical Property:

• PSA: 35.83000
• LogP: 1.57720
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 176.094963011
• Heavy Atom Count: 13
• Complexity: 197

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N2CCC(=O)N2

Technology Process of 1-(4-Methylphenyl)pyrazolidin-3-one

There total 8 articles about 1-(4-Methylphenyl)pyrazolidin-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: 82.0%

p-tolylhydrazine hydrochloride (637-60-5,35467-65-3) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → 1-p-tolylpyrazolidin-3-one (3352-86-1,31289-17-5)

Guidance literature:

With sodium methylate; In methanol; toluene; at 30 ℃; Reflux;

DOI:10.3184/174751918X15161933697808

Reference yield:

p-tolylhydrazine hydrochloride (637-60-5,35467-65-3) + 3-Bromopropionyl chloride (15486-96-1) → 1-p-tolylpyrazolidin-3-one (3352-86-1,31289-17-5)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 0 - 20 ℃; for 1h;

Reference yield:

1-(p-tolyl)-3-amino-Δ2-pyrazoline (6463-32-7) → 1-p-tolylpyrazolidin-3-one (3352-86-1,31289-17-5)

Guidance literature:

With sulfuric acid;

DOI:10.1039/jr9540000408

upstream raw materials:

1-(p-tolyl)-3-amino-Δ²-pyrazoline

3-hydroxy-propionic acid-(N'-p-tolyl-hydrazide)

acrylonitrile

N-4-methylphenylhydrazine

Downstream raw materials:

4-(2-Methoxy-ethyl)-1-p-tolyl-pyrazolidin-3-one

1-acetyl-2-p-tolyl-pyrazolidine