3-Methyl-4-(phenylmethyl)-2-piperazinone

Base Information

Chemical Name:3-Methyl-4-(phenylmethyl)-2-piperazinone
CAS No.:29906-47-6
Molecular Formula:C12H16N2O
Molecular Weight:204.272
Hs Code.:
DSSTox Substance ID:DTXSID001277460
Mol file:29906-47-6.mol

Synonyms:3-Methyl-4-(phenylmethyl)-2-piperazinone;29906-47-6;DTXSID001277460

Suppliers and Price of 3-Methyl-4-(phenylmethyl)-2-piperazinone

Supply Marketing:

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

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Chemical Property of 3-Methyl-4-(phenylmethyl)-2-piperazinone

Chemical Property:

XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:204.126263138
Heavy Atom Count:15
Complexity:224

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C(=O)NCCN1CC2=CC=CC=C2

Technology Process of 3-Methyl-4-(phenylmethyl)-2-piperazinone

There total 3 articles about 3-Methyl-4-(phenylmethyl)-2-piperazinone 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: 60.0%

: 23936-11-0
3-methylpiperazin-2-one

: 100-44-7
benzyl chloride

: 29906-47-6
1-benzyl-2-methylpiperazin-3-one

Guidance literature:: In methanol; for 24h; Heating;

Reference yield: 54.0%

: 3891-07-4
N-(2-Hydroxyethyl)phthalimide

: 64892-53-1
N-benzylalanine ethyl ester

: 29906-47-6
1-benzyl-2-methylpiperazin-3-one

Guidance literature:: N-(2-Hydroxyethyl)phthalimide; With trifluoromethylsulfonic anhydride; In dichloromethane; at 0 ℃; for 0.166667h; Inert atmosphere;

With 2,6-dimethylpyridine; In dichloromethane; at 0 ℃; for 0.166667h; Inert atmosphere;

N-benzylalanine ethyl ester; Further stages;
DOI:10.1002/anie.201408609

Reference yield:

: 60930-36-1
ethyl (RS)-2-(benzylideneamino)propanoate

: 29906-47-6
1-benzyl-2-methylpiperazin-3-one

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium tetrahydroborate / methanol / 2 h / 0 °C

2.1: trifluoromethylsulfonic anhydride / dichloromethane / 0.17 h / 0 °C / Inert atmosphere

2.2: 0.17 h / 0 °C / Inert atmosphere

With sodium tetrahydroborate; trifluoromethylsulfonic anhydride; In methanol; dichloromethane;
DOI:10.1002/anie.201408609