1-[2-(4-Bromophenoxy)ethyl]piperidine

Base Information

• Chemical Name: 1-[2-(4-Bromophenoxy)ethyl]piperidine
• CAS No.: 836-58-8
• Molecular Formula: C13H18BrNO
• Molecular Weight: 284.196
• Hs Code.: 2933399090
• European Community (EC) Number: 672-334-0
• DSSTox Substance ID: DTXSID60357749
• Wikidata: Q82137812
• Mol file: 836-58-8.mol

Synonyms:836-58-8;1-[2-(4-bromophenoxy)ethyl]piperidine;1-(2-(4-bromophenoxy)ethyl)piperidine;4-[2-piperidino-ethoxy]phenyl bromide;1-[2-(4-Bromophenoxy)ethyl]-piperidine;1-(2-(4-bromo-phenoxy)-ethyl)-piperidine;1-[2-(4-BROMO-PHENOXY)-ETHYL]-PIPERIDINE;4-[2-piperidinoethoxy]phenyl bromide;Oprea1_538522;SCHEMBL227976;DTXSID60357749;PDUKJODPFIFHNK-UHFFFAOYSA-N;AMY27222;MFCD01308459;4-bromo-(1-piperidinyl)ethoxybenzene;AKOS009027428;AB08430;AC-6483;4-[2-(1-piperidinyl)ethoxy]bromobenzene;TS-01018;1-[2-(4-bromophenoxy)-ethyl]-piperidine;CS-0171599

Chemical Property of 1-[2-(4-Bromophenoxy)ethyl]piperidine

Chemical Property:

• Vapor Pressure: 1.92E-05mmHg at 25°C
• Refractive Index: 1.549
• Boiling Point: 362.5 °C at 760 mmHg
• PKA: 8.59±0.10(Predicted)
• Flash Point: 173 °C
• PSA: 12.47000
• Density: 1.293 g/cm³
• LogP: 3.25170
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 283.05718
• Heavy Atom Count: 16
• Complexity: 186

Purity/Quality:

97% ^*data from raw suppliers

1-(2-(4-Bromophenoxy)ethyl)piperidine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)Br

Technology Process of 1-[2-(4-Bromophenoxy)ethyl]piperidine

There total 3 articles about 1-[2-(4-Bromophenoxy)ethyl]piperidine 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: 100.0%

4-bromo-phenol (106-41-2) + N-chloroethylpiperidine hydrochloride (2008-75-5) → 1-[2-(4-bromophenoxy)ethyl]piperidine (836-58-8)

Guidance literature:

With caesium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 25 - 50 ℃; for 14.5h;

DOI:10.1021/jm050226i

Reference yield: 85.0%

1-piperidinoethanol (3040-44-6) + 4-bromo-phenol (106-41-2) → 1-[2-(4-bromophenoxy)ethyl]piperidine (836-58-8)

Guidance literature:

With di-isopropyl azodicarboxylate; triethylamine; triphenylphosphine; In tetrahydrofuran; at 0 - 20 ℃; for 7h;

DOI:10.1016/S0968-0896(00)00226-1

Reference yield: 65.0%

→ 1-[2-(4-bromophenoxy)ethyl]piperidine (836-58-8)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 70 ℃; for 12h;

upstream raw materials:

1-piperidinoethanol

4-bromo-phenol

N-chloroethylpiperidine hydrochloride

Downstream raw materials:

1-[4-(2-N-piperidinyl-ethoxy)-phenyl]-3,5-bis(4-methoxyphenyl)-4-ethyl-1H-pyrazole

2-(p-Chlorobenzyl)-3-[p-(2-(1-piperidino)ethoxy)phenyl]-6-methoxybenzo[b]thiophene