2-(4-Methylpiperazinyl)-1-phenylethylamine

Base Information

• Chemical Name: 2-(4-Methylpiperazinyl)-1-phenylethylamine
• CAS No.: 775349-54-7
• Molecular Formula: C₁₃H₂₁N₃
• Molecular Weight: 219.33
• Hs Code.: 2933599090
• European Community (EC) Number: 817-232-0
• DSSTox Substance ID: DTXSID60391860
• Mol file: 775349-54-7.mol

Synonyms:775349-54-7;2-(4-Methylpiperazinyl)-1-phenylethylamine;2-(4-methylpiperazin-1-yl)-1-phenylethanamine;2-(4-methylpiperazin-1-yl)-1-phenylethan-1-amine;2-(4-Methyl-piperazin-1-yl)-1-phenyl-ethylamine;SCHEMBL2110500;DTXSID60391860;AR3545;MFCD01862534;AKOS000149640;AKOS016042126;FS-2493;SB77284;CS-0172453;FT-0753685;EC-000.2066;EN300-67187;2-(4-methyl-1-piperazinyl)-1-phenylethanamine;4-Methyl-a-phenyl-1-piperazineethanamine 3HCl;A914495;2-(4-METHYL-PIPERAZINYL)-1-PHENYLETHYLAMINE;Z271008194

Chemical Property of 2-(4-Methylpiperazinyl)-1-phenylethylamine

Chemical Property:

• PSA: 32.50000
• LogP: 1.50990
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 219.173547683
• Heavy Atom Count: 16
• Complexity: 193

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Methylpiperazinyl)-1-phenylethylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)CC(C2=CC=CC=C2)N

Technology Process of 2-(4-Methylpiperazinyl)-1-phenylethylamine

There total 8 articles about 2-(4-Methylpiperazinyl)-1-phenylethylamine 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:

1-methyl-piperazine (109-01-3) → (R)-1-phenyl-2-(4-methylpiperazinyl)ethylamine (157303-86-1,775349-54-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 98 percent / Et₃N, diethylphosphorocyanidate / dimethylformamide / 4 h / Ambient temperature

2: 33percent HBr/AcOH / Ambient temperature

3: LiAlH₄ / tetrahydrofuran / 2 h / Heating

With lithium aluminium tetrahydride; diethyl cyanophosphonate; hydrogen bromide; acetic acid; triethylamine; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1248/cpb.42.690

Reference yield:

[(R)-2-(4-Methyl-piperazin-1-yl)-1-phenyl-ethyl]-carbamic acid tert-butyl ester (1027496-10-1) → (R)-1-phenyl-2-(4-methylpiperazinyl)ethylamine (157303-86-1,775349-54-7)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; for 1.5h; Ambient temperature;

DOI:10.1021/jm00033a008

Reference yield:

D-2-phenylglycinol (56613-80-0) → (R)-1-phenyl-2-(4-methylpiperazinyl)ethylamine (157303-86-1,775349-54-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 90 percent / CH₂Cl₂ / 2 h / Ambient temperature

2: 96 percent / Et₃N / CH₂Cl₂ / 1.5 h / 0 °C

3: tetrahydrofuran / 5 h / Heating

4: TFA / CH₂Cl₂ / 1.5 h / Ambient temperature

With triethylamine; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm00033a008

upstream raw materials:

[(R)-2-(4-Methyl-piperazin-1-yl)-1-phenyl-ethyl]-carbamic acid tert-butyl ester

(R)-4-methyl-1-(2-phenylglycyl)piperazine

1-methyl-piperazine

Z-D-phenylglycine

Downstream raw materials:

(S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine

(R)-N-benzhydryl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine

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