N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amine

Base Information

• Chemical Name: N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amine
• CAS No.: 166187-00-4
• Molecular Formula: C8H17 N3 O
• Molecular Weight: 171.24008
• Hs Code.: 2933599090
• European Community (EC) Number: 674-566-8
• Mol file: 166187-00-4.mol

Synonyms:166187-00-4;2-(methylamino)-1-(4-methylpiperazin-1-yl)ethanone;N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amine;2-(methylamino)-1-(4-methylpiperazin-1-yl)ethan-1-one;PIPERAZINE, 1-METHYL-4-[(METHYLAMINO)ACETYL]- (9CI);4-methyl-1-(N-methylamino)methylcarbonylpiperazine;METHYLMELISSATE;SCHEMBL883730;CKRGUQFETZTMME-UHFFFAOYSA-N;HMS1783N02;MFCD06366274;STK504220;AKOS000266162;LS-02518;BB 0254973;CS-0301434;EN300-11519;2-(methylamino)-1-(4-methylpiperazino)-1-ethanone;2-(Methylamino)-1-(4-methyl-1-piperazinyl)ethanone;Z57046233;F2158-1030;2-methylamino-1-(4-methyl-piperazin-1-yl)-ethanone, AldrichCPR

Chemical Property of N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amine

Chemical Property:

• Vapor Pressure: 3.24E-05mmHg at 25°C
• Boiling Point: 349.7°Cat760mmHg
• PKA: 8.83±0.10(Predicted)
• Flash Point: 165.3°C
• PSA: 35.58000
• Density: g/cm³
• LogP: 0.85050
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 171.137162174
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

98%min ^*data from raw suppliers

N-Methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC(=O)N1CCN(CC1)C

Technology Process of N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amine

There total 2 articles about N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amine 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:

Methyl-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-carbamic acid benzyl ester (181999-17-7) → 4-methyl-1-(N-methylamino)methylcarbonylpiperazine (166187-00-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 1h; Yield given; Ambient temperature;

DOI:10.1021/jm00021a013

Reference yield:

1-methyl-piperazine (109-01-3) → 4-methyl-1-(N-methylamino)methylcarbonylpiperazine (166187-00-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) N-hydroxysuccinimide, N,N'-dicyclohexylcarbodiimide / 1.) CH₂Cl₂, 0 deg C, 1 h, 2.) CH₂Cl₂, RT, 1 h

2: H₂ / 10percent Pd/C / methanol / 1 h / Ambient temperature

With 1-hydroxy-pyrrolidine-2,5-dione; hydrogen; dicyclohexyl-carbodiimide; palladium on activated charcoal; In methanol;

DOI:10.1021/jm00021a013

Reference yield:

4-(4'-methylbiphenyl-2-carboxamido)-N-methyl-N-[2-(formylmethoxy)phenyl]benzamide (183495-72-9) + 4-methyl-1-(N-methylamino)methylcarbonylpiperazine (166187-00-4) → 4-(4'-methylbiphenyl-2-carboxamido)-N-methyl-N-[2-[2-[N-methyl-N-(4-methylpiperazin-1-yl)carbonylmethylamino]ethoxy]phenyl]benzamide

Guidance literature:

With sodium cyanoborohydride; acetic acid; In methanol;

upstream raw materials:

Methyl-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-carbamic acid benzyl ester

1-methyl-piperazine

Refernces