2-Chloro-N-(4-piperidin-1-yl-phenyl)-acetamide

Base Information

• Chemical Name: 2-Chloro-N-(4-piperidin-1-yl-phenyl)-acetamide
• CAS No.: 379255-22-8
• Molecular Formula: C₁₃H₁₇ClN₂O
• Molecular Weight: 252.744
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40356351
• Wikidata: Q82135636
• ChEMBL ID: CHEMBL602153
• Mol file: 379255-22-8.mol

Synonyms:379255-22-8;2-Chloro-N-(4-piperidin-1-yl-phenyl)-acetamide;2-Chloro-N-(4-(piperidin-1-yl)phenyl)acetamide;2-chloro-N-(4-piperidin-1-ylphenyl)acetamide;GNF-Pf-3771;2-chloro-N-[4-(piperidin-1-yl)phenyl]acetamide;CHEMBL602153;DTXSID40356351;AKOS000100597;10G-395S;UPCMLD0ENAT0515-0154:001;CS-0323319;FT-0676714;2-Chloro-N-[4-(1-piperidinyl)phenyl]acetamide;SR-01000370520;SR-01000370520-1;Z56896256

Chemical Property of 2-Chloro-N-(4-piperidin-1-yl-phenyl)-acetamide

Chemical Property:

• Vapor Pressure: 9.47E-09mmHg at 25°C
• Refractive Index: 1.596
• Boiling Point: 462.9 °C at 760 mmHg
• Flash Point: 233.8 °C
• PSA: 32.34000
• Density: 1.225 g/cm³
• LogP: 2.99220
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 252.1029409
• Heavy Atom Count: 17
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-N-(4-piperidin-1-yl-phenyl)-acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCl
• Use Description: 2-CHLORO-N-(4-PIPERIDIN-1-YL-PHENYL)-ACETAMIDE is a chemical compound with applications in various fields. In the pharmaceutical industry, it serves as a key intermediate in the synthesis of pharmaceutical compounds, particularly those involved in the development of medications for various medical conditions. Its role is vital in the modification and functionalization of molecules, enabling the creation of novel drug candidates with potential therapeutic effects. Additionally, in academic research, this compound can be used as a building block for the synthesis of complex organic molecules, facilitating studies in organic chemistry and chemical biology. Its diverse applications underscore its importance in advancing drug discovery, academic research, and the development of potential treatments for different diseases and conditions.

Technology Process of 2-Chloro-N-(4-piperidin-1-yl-phenyl)-acetamide

There total 5 articles about 2-Chloro-N-(4-piperidin-1-yl-phenyl)-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: 79.0%

4-(1-piperidino)aniline (2359-60-6) + chloroacetyl chloride (79-04-9) → 2-chloro-N-(4-(piperidin-1-yl)phenyl)acetamide (379255-22-8)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Cooling with ice;

DOI:10.1155/2014/387309

Reference yield:

piperidine (110-89-4) → 2-chloro-N-(4-(piperidin-1-yl)phenyl)acetamide (379255-22-8)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / N,N-dimethyl-formamide / 0.25 h / 200 °C / 7500.75 Torr / Microwave irradiation

2: hydrogenchloride; zinc / ethanol / 3.5 h / Reflux

3: triethylamine / tetrahydrofuran / 1 h / 0 - 20 °C / Cooling with ice

With hydrogenchloride; potassium carbonate; triethylamine; zinc; In tetrahydrofuran; ethanol; N,N-dimethyl-formamide;

DOI:10.1155/2014/387309

Reference yield:

1-(4-nitrophenyl)piperidine (6574-15-8) → 2-chloro-N-(4-(piperidin-1-yl)phenyl)acetamide (379255-22-8)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride; zinc / ethanol / 3.5 h / Reflux

2: triethylamine / tetrahydrofuran / 1 h / 0 - 20 °C / Cooling with ice

With hydrogenchloride; triethylamine; zinc; In tetrahydrofuran; ethanol;

DOI:10.1155/2014/387309

upstream raw materials:

4-(1-piperidino)aniline

chloroacetyl chloride

1-(4-nitrophenyl)piperidine

4-Fluoronitrobenzene

Refernces

• 1、 Yang, Fang,He, Cai-Ping,Diao, Peng-Cheng,Hong, Kwon Ho,Rao, Jin-Jun,Zhao, Pei-Liang. "Discovery and optimization of 3,4,5-trimethoxyphenyl substituted triazolylthioacetamides as potent tubulin polymerization inhibitors". . p. 22 - 27. Retrieved 2018/11/23.
• 2、 Salik, Begüm Nurpelin,?zkay, Yusuf,Demir ?zkay, ümide,Karaca Gener, Hülya. "Synthesis and biological evaluation of some novel dithiocarbamate derivatives". . . Retrieved 2014/12/11.