3-Benzyl-1-methylpiperazine

Base Information

• Chemical Name: 3-Benzyl-1-methylpiperazine
• CAS No.: 137539-25-4
• Molecular Formula: C12H18N2
• Molecular Weight: 190.28472
• DSSTox Substance ID: DTXSID80569620
• Mol file: 137539-25-4.mol

Synonyms:3-BENZYL-1-METHYLPIPERAZINE;137539-25-4;3-benzyl-1-methyl-piperazine;Piperazine, 1-methyl-3-(phenylmethyl)-;Piperazine, 1-methyl-3-(phenylmethyl)- (9CI);1-Methyl-3-BZP;SCHEMBL11386097;DTXSID80569620;(3R)-3-benzyl-1-methyl-piperazine;AKOS014161530;SB33201;SB34516;SB39700;PD077047;CS-0064351;EN300-235512;G57516;F2147-0824

Chemical Property of 3-Benzyl-1-methylpiperazine

Chemical Property:

• Boiling Point: 287.3±20.0 °C(Predicted)
• PKA: 9.27±0.40(Predicted)
• PSA: 15.27000
• Density: 0.991±0.06 g/cm3(Predicted)
• LogP: 1.39940
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 190.146998583
• Heavy Atom Count: 14
• Complexity: 164

Purity/Quality:

97% ^*data from raw suppliers

3-benzyl-1-methylpiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCNC(C1)CC2=CC=CC=C2

Technology Process of 3-Benzyl-1-methylpiperazine

There total 3 articles about 3-Benzyl-1-methylpiperazine 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: 90.0%

1-methyl-3-phenylmethyl-2,5-piperazinedione (137623-66-6) → 1-methyl-3-phenylmethylpiperazine (137539-25-4,1821818-48-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 18h; Heating;

Reference yield:

N-methyl-N--D,L-phenylalanyl>glycine ethyl ester (3972-95-0,13138-38-0) → 1-methyl-3-phenylmethylpiperazine (137539-25-4,1821818-48-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / H₂ / 10percent Pd-C / acetic acid / 6 h / 2585.7 Torr

2: 90 percent / LiAlH₄ / tetrahydrofuran / 18 h / Heating

With lithium aluminium tetrahydride; hydrogen; palladium on activated charcoal; In tetrahydrofuran; acetic acid;

Reference yield:

Z-DL-Phe-OH (3588-57-6) → 1-methyl-3-phenylmethylpiperazine (137539-25-4,1821818-48-7)

Guidance literature:

Multi-step reaction with 3 steps

1: dicyclohexylcarbodiimide, NEt₃ / CH₂Cl₂ / 2.5 h / Ambient temperature

2: 89 percent / H₂ / 10percent Pd-C / acetic acid / 6 h / 2585.7 Torr

3: 90 percent / LiAlH₄ / tetrahydrofuran / 18 h / Heating

With lithium aluminium tetrahydride; hydrogen; triethylamine; dicyclohexyl-carbodiimide; palladium on activated charcoal; In tetrahydrofuran; dichloromethane; acetic acid;

upstream raw materials:

1-methyl-3-phenylmethyl-2,5-piperazinedione

N-methyl-N--D,L-phenylalanyl>glycine ethyl ester

Z-DL-Phe-OH

Downstream raw materials:

1,2,3,4,6,7,12,12a-octahydro-2-methyl-7-phenylpyrazino<2,1-b><3>benzazepine

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