4-(4-Methylphenyl)pyrrolidin-2-one

Base Information

• Chemical Name: 4-(4-Methylphenyl)pyrrolidin-2-one
• CAS No.: 55656-95-6
• Molecular Formula: C11H13NO
• Molecular Weight: 175.23
• Hs Code.: 2933790090
• European Community (EC) Number: 960-299-7
• DSSTox Substance ID: DTXSID50500646
• Mol file: 55656-95-6.mol

Synonyms:4-(4-methylphenyl)pyrrolidin-2-one;55656-95-6;4-(P-TOLYL)PYRROLIDIN-2-ONE;4-(4-methylphenyl)-2-Pyrrolidinone;SCHEMBL14544184;DTXSID50500646;MFCD19347434;AKOS014313294;SB45816;SB45817;AS-38298;CS-0233466;FT-0716935;EN300-133754;F2147-1097;Z1251360848

Chemical Property of 4-(4-Methylphenyl)pyrrolidin-2-one

Chemical Property:

• PSA: 32.59000
• LogP: 1.87440
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 175.099714038
• Heavy Atom Count: 13
• Complexity: 194

Purity/Quality:

98%min ^*data from raw suppliers

4-(4-methylphenyl)pyrrolidin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2CC(=O)NC2

Technology Process of 4-(4-Methylphenyl)pyrrolidin-2-one

There total 18 articles about 4-(4-Methylphenyl)pyrrolidin-2-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: 100.0%

2-oxo-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid (927802-33-3) → 4-(p-tolyl)pyrrolidin-2-one (55656-95-6)

Guidance literature:

In toluene; for 5h; Reflux;

DOI:10.3390/molecules201219830

Reference yield: 86.0%

4-(1,3-dioxoisoindolin-2-yl)-N-(quinolin-8-yl)-3-(p-tolyl)butanamide → 4-(p-tolyl)pyrrolidin-2-one (55656-95-6)

Guidance literature:

With hydrazine hydrate; In ethanol; at 95 ℃; for 6h; Sealed tube;

DOI:10.1016/j.tet.2019.03.018

Reference yield: 81.0%

4-Azido-3-p-tolyl-butyric acid methyl ester (153867-16-4) → 4-(p-tolyl)pyrrolidin-2-one (55656-95-6)

Guidance literature:

With triphenylphosphine; In tetrahydrofuran; water;

DOI:10.3987/COM-93-6499

upstream raw materials:

4-Azido-3-p-tolyl-butyric acid methyl ester

4-tolyl iodide

β-(4-methylphenyl)-γ-butyrolactone

4-p-Tolyl-tetrahydro-furan-2-ol

Downstream raw materials:

4-amino-3-(p-tolyl)butanoic acid

(±)-tolibut hydrochloride