1-(4-Bromophenyl)piperidine

Base Information

• Chemical Name: 1-(4-Bromophenyl)piperidine
• CAS No.: 22148-20-5
• Molecular Formula: C11H14BrN
• Molecular Weight: 240.143
• Hs Code.: 2933399090
• European Community (EC) Number: 805-768-8
• DSSTox Substance ID: DTXSID40426846
• Nikkaji Number: J385.421C
• Wikidata: Q82239644
• Mol file: 22148-20-5.mol

Synonyms:1-(4-Bromophenyl)piperidine;22148-20-5;1-(4-Bromo-phenyl)-piperidine;Piperidine, 1-(4-bromophenyl)-;Piperidine,1-(4-bromophenyl)-;1-Piperidino-4-bromobenzene;SCHEMBL539280;AMY5281;DTXSID40426846;OACWQRGNHICZFD-UHFFFAOYSA-N;MFCD04112533;AKOS015835653;PS-7587;SB43138;AC-20743;1-(4-Bromo-phenyl)-piperidine, AldrichCPR;A4764;B3930;CS-0186252;FT-0653091

Chemical Property of 1-(4-Bromophenyl)piperidine

Chemical Property:

• Vapor Pressure: 0.000273mmHg at 25°C
• Melting Point: 74.5-76.1°C
• Refractive Index: 1.574
• Boiling Point: 322.8 °C at 760 mmHg
• PKA: 5.68±0.20(Predicted)
• Flash Point: 149 °C
• PSA: 3.24000
• Density: 1.349g/cm³
• LogP: 3.50440
• Solubility.: soluble in Methanol
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 239.03096
• Heavy Atom Count: 13
• Complexity: 146

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(4-Bromophenyl)piperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Bromophenyl)piperidine

There total 20 articles about 1-(4-Bromophenyl)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: 94.0%

N-phenyl piperidine (4096-20-2) → N-(4-bromophenyl)piperidine (22148-20-5)

Guidance literature:

With 2-bromo-pyridine; tris(bipyridine)ruthenium(II) dichloride hexahydrate; Bromotrichloromethane; oxygen; In N,N-dimethyl-formamide; at 20 ℃; for 12h; regioselective reaction; Irradiation;

DOI:10.1039/d1cc01721g

Reference yield: 92.0%

piperidine (110-89-4) + 1,4-bromoiodobenzene (589-87-7) → N-(4-bromophenyl)piperidine (22148-20-5)

Guidance literature:

With tol-BINAP; 18-crown-6 ether; sodium t-butanolate; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; In tetrahydrofuran; for 13h; Ambient temperature;

DOI:10.1021/jo970876x

Reference yield: 92.0%

1,5-dibromo-pentane (111-24-0) + 4-bromo-aniline (106-40-1) → N-(4-bromophenyl)piperidine (22148-20-5)

Guidance literature:

With potassium carbonate; In water; at 115 ℃; for 0.333333h; Concentration; Microwave irradiation; Green chemistry;

DOI:10.1021/op0601722

upstream raw materials:

piperidine

1.4-dibromobenzene

N-phenyl piperidine

1,5-dibromo-pentane

Downstream raw materials:

4-morpholino-4'-piperidinotriphenylmethanol

4-(N-methylpiperazino)-4'-piperidinotriphenylmethanol

1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenyl)piperidine

1-(5-bromo-2-(piperidin-1-yl)phenyl)naphthalen-2-ol

Refernces

• 1、 Niknam, Esmaeil,Mahmoodi, Ali,Panahi, Farhad,Heydari Dokoohaki, Maryam,Zolghadr, Amin Reza,Khalafi-Nezhad, Ali. "Synthesis of some new distyrylbenzene derivatives using immobilized Pd on an NHC-functionalized MIL-101(Cr) catalyst: photophysical property evaluation, DFT and TD-DFT calculations". . p. 12374 - 12380. Retrieved 2021/04/07.
• 2、 -. "Synthesis method of 1-(4-bromophenyl) piperidine". Paragraph 0028-0036. . Retrieved 2021/04/14.