N-methyl-N-phenyl-2-(piperazin-1-yl)acetamide

Base Information

• Chemical Name: N-methyl-N-phenyl-2-(piperazin-1-yl)acetamide
• CAS No.: 318280-95-4
• Molecular Formula: C13H19N3O
• Molecular Weight: 233.313
• Hs Code.: 2934309090
• European Community (EC) Number: 671-464-5
• DSSTox Substance ID: DTXSID80371902
• Wikidata: Q82159426
• Mol file: 318280-95-4.mol

Synonyms:318280-95-4;N-methyl-N-phenyl-2-(piperazin-1-yl)acetamide;N-methyl-N-phenyl-2-piperazin-1-ylacetamide;N-(2-Piperazino-acetyl)-N-methylaniline;N-Methyl-N-phenyl-2-piperazin-1-yl-acetamide;2-(piperazin-1-yl)-acetic acid n-methyl-n-phenyl-amide;piperazino acetic acid-n-methylanilide;MFCD00040792;(piperazino)acetic acid-n-methylanilide;SCHEMBL209154;DTXSID80371902;IAZRIFOHJXNFPA-UHFFFAOYSA-N;piperazinoacetic acid-n-methylanilide;BBL011178;STK931114;AKOS005261443;FS-1239;CS-0312695;FT-0709711;2-(piperazin-1-yl)acet-n-methyl-n-phenylamide;N-[2-(piperazin-1-yl)acetyl]-N-methylaniline;A821016;N-Methyl-N-phenyl-2-piperazin-1-ylacetamide, AldrichCPR

Chemical Property of N-methyl-N-phenyl-2-(piperazin-1-yl)acetamide

Chemical Property:

• Vapor Pressure: 1.54E-05mmHg at 25°C
• Melting Point: 68-70 °C
• Refractive Index: 1.564
• Boiling Point: 365.7 °C at 760 mmHg
• PKA: 8.94±0.10(Predicted)
• Flash Point: 175 °C
• PSA: 35.58000
• Density: 1.107 g/cm³
• LogP: 0.82130
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 233.152812238
• Heavy Atom Count: 17
• Complexity: 245

Purity/Quality:

98%Min ^*data from raw suppliers

N-(2-Piperazino-acetyl)-N-methylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1=CC=CC=C1)C(=O)CN2CCNCC2

Technology Process of N-methyl-N-phenyl-2-(piperazin-1-yl)acetamide

There total 5 articles about N-methyl-N-phenyl-2-(piperazin-1-yl)acetamide 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:

C18H27N3O3 (1452806-98-2) → 1-[N-methyl-N-(phenyl)aminocarbonylmethyl]piperazine (318280-95-4)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1111/cbdd.12158

Reference yield:

N-methyl-2-chloroacetanilide (2620-05-5) → 1-[N-methyl-N-(phenyl)aminocarbonylmethyl]piperazine (318280-95-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; potassium iodide / acetonitrile / 8 h / Reflux

2: trifluoroacetic acid / dichloromethane / 12 h / 20 °C

With potassium carbonate; trifluoroacetic acid; potassium iodide; In dichloromethane; acetonitrile;

DOI:10.1111/cbdd.12158

Reference yield:

N-methylaniline (100-61-8) → 1-[N-methyl-N-(phenyl)aminocarbonylmethyl]piperazine (318280-95-4)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / dichloromethane / 5 h / 20 °C / Inert atmosphere

2: potassium carbonate; potassium iodide / acetonitrile / 8 h / Reflux

3: trifluoroacetic acid / dichloromethane / 12 h / 20 °C

With potassium carbonate; triethylamine; trifluoroacetic acid; potassium iodide; In dichloromethane; acetonitrile;

DOI:10.1111/cbdd.12158

upstream raw materials:

N-methylaniline

N-methyl-2-chloroacetanilide

C₁₈H₂₇N₃O₃

aniline

Downstream raw materials:

2-(4-(3-(5-fluoro-1H-indol-3-yl)propyl)piperazin-1-yl)-N-methyl-N-phenylacetamide

TK₄₅₄₇-070E

5-amino-2-[2-(4-fluorophenyl)ethyl]-7-(4-[(methylphenylcarbamoyl)-methyl]piperazin-1-yl)-thiazolo[5,4-d]pyrimidine

2-(4-(2-amino-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)-N-methyl-N-phenylacetamide

Refernces

• 1、 Du, Peng,Xu, Lili,Huang, Jiye,Yu, Kunqian,Zhao, Rui,Gao, Bo,Jiang, Hualiang,Zhao, Weili,Zhen, Xuechu,Fu, Wei. "Design, synthesis, and evaluation of indolebutylamines as a novel class of selective dopamine D3 receptor ligands". . p. 326 - 335. Retrieved 2013/09/12.