3-(4-Methylphenyl)piperazin-2-one

Base Information

Chemical Name:3-(4-Methylphenyl)piperazin-2-one
CAS No.:157977-91-8
Molecular Formula:C₁₁H₁₄N₂O
Molecular Weight:190.245
Hs Code.:
DSSTox Substance ID:DTXSID40440320
Nikkaji Number:J602.635D
ChEMBL ID:CHEMBL4524653
Mol file:157977-91-8.mol

Synonyms:3-(4-methylphenyl)piperazin-2-one;157977-91-8;3-(p-Tolyl)piperazin-2-one;Piperazinone, 3-(4-methylphenyl)- (9CI);2-Piperazinone, 3-(4-methylphenyl)-;3-(4-methylphenyl)-2-piperazinone;(3R)-3-(4-METHYLPHENYL)PIPERAZIN-2-ONE;(3S)-3-(4-METHYLPHENYL)PIPERAZIN-2-ONE;3-(p-tolyl)-piperazin-2-one;SCHEMBL5586396;CHEMBL4524653;DTXSID40440320;3-P-TOLYL-PIPERAZIN-2-ONE;AKOS011636374;AB37401;AB37402;AB37404;CS-0233983;EN300-137561;1228554-19-5;1228559-03-2

Suppliers and Price of 3-(4-Methylphenyl)piperazin-2-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-(4-methylphenyl)piperazin-2-one
100mg
$ 265.00

American Custom Chemicals Corporation
3-PARA-TOLYL-PIPERAZIN-2-ONE 95.00%
5MG
$ 502.24

Total 3 raw suppliers

Chemical Property of 3-(4-Methylphenyl)piperazin-2-one

Chemical Property:

PSA：44.62000
LogP:1.36020
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:190.110613074
Heavy Atom Count:14
Complexity:209

Purity/Quality:

98%min ^*data from raw suppliers

3-(4-methylphenyl)piperazin-2-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C2C(=O)NCCN2

Technology Process of 3-(4-Methylphenyl)piperazin-2-one

There total 8 articles about 3-(4-Methylphenyl)piperazin-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: 96.0%

: 91426-87-8
3-(p-tolyl)-5,6-dihydropyrazin-2(1H)-one

: 157977-91-8
(S)-3-(p-tolyl)piperazin-2-one

Guidance literature:: With C₃₇H₄₂IrNOPRu⁽¹⁺⁾*C₃₂H₁₂BF₂₄^(1-); hydrogen; In dichloromethane; at 20 ℃; for 24h; under 37503.8 Torr; enantioselective reaction; Autoclave;
DOI:10.1002/adsc.201700175

Reference yield: 10.0%

: 102862-46-4
3-p-Tolyl-oxirane-2,2-dicarbonitrile

: 107-15-3,85404-18-8
ethylenediamine

: 157977-91-8
3-p-Tolyl-piperazin-2-one

Guidance literature:: In acetonitrile; for 5h; Ambient temperature;
DOI:10.1021/jo00095a059

Reference yield:

: 34966-53-5
methyl 4-methylphenylglyoxylate

: 157977-91-8
(S)-3-(p-tolyl)piperazin-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: sodium sulfate / toluene / 2 h / Inert atmosphere; Reflux; Schlenk technique

2: hydrogen; C₃₇H₄₂IrNOPRu⁽¹⁺⁾*C₃₂H₁₂BF₂₄^(1-) / dichloromethane / 24 h / 20 °C / 37503.8 Torr / Autoclave

With C₃₇H₄₂IrNOPRu⁽¹⁺⁾*C₃₂H₁₂BF₂₄^(1-); hydrogen; sodium sulfate; In dichloromethane; toluene;
DOI:10.1002/adsc.201700175