4-(2-Bromophenyl)piperidine

Base Information

• Chemical Name: 4-(2-Bromophenyl)piperidine
• CAS No.: 82212-00-8
• Molecular Formula: C11H14BrN
• Molecular Weight: 240.143
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80606125
• Wikidata: Q82504723
• Mol file: 82212-00-8.mol

Synonyms:4-(2-BROMOPHENYL)PIPERIDINE;82212-00-8;C11H14BrN;SCHEMBL5584664;DTXSID80606125;MFCD11223600;AKOS012457935;AS-38574;DB-013566;CS-0132020;A840274

Chemical Property of 4-(2-Bromophenyl)piperidine

Chemical Property:

• PSA: 12.03000
• LogP: 3.24490
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 239.03096
• Heavy Atom Count: 13
• Complexity: 154

Purity/Quality:

99% ^*data from raw suppliers

4-(2-Bromophenyl)piperidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCC1C2=CC=CC=C2Br

Technology Process of 4-(2-Bromophenyl)piperidine

There total 6 articles about 4-(2-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: 90.0%

piperidine (110-89-4) + 2,3-dibromobenzene (583-53-9) → 1-(2-bromophenyl)piperidine (82212-00-8,156808-79-6)

Guidance literature:

With potassium fluoride on basic alumina; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; at 80 - 90 ℃; for 1h;

DOI:10.1055/s-2005-865241

Reference yield: 81.0%

1,5-dibromo-pentane (111-24-0) + 2-bromoaniline (615-36-1) → 1-(2-bromophenyl)piperidine (82212-00-8,156808-79-6)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In toluene; at 110 ℃; for 15h;

DOI:10.1055/s-0028-1083537

Reference yield:

3-(2-Bromphenyl)-glutarsaeureimid (99983-26-3) → 4-(2-bromophenyl)piperidine (82212-00-8)

Guidance literature:

3-(2-Bromphenyl)-glutarsaeureimid; With borane-THF; In tetrahydrofuran; for 20h; Inert atmosphere; Reflux;

With hydrogenchloride; In tetrahydrofuran; water; for 20h; Reflux;

DOI:10.1016/j.bmc.2012.06.040

upstream raw materials:

3-(2-Bromphenyl)-glutarsaeureimid

3-(2-bromophenyl)glutaric acid

ortho-bromobenzaldehyde

1,5-dibromo-pentane

Downstream raw materials:

(R)-3-methyl-1-(2-(1-pieridinyl)phenyl)-butylamine

(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine

Refernces

• 1、 -. "PROCESS FOR PREPARING 2-(1-(tert-BUTOXYCARBONYL)PIPERIDINE-4-YL)BENZOIC ACID". . . Retrieved 2019/12/15.
• 2、 Kozaka, Takashi,Uno, Izumi,Kitamura, Yoji,Miwa, Daisuke,Ogawa, Kazuma,Shiba, Kazuhiro. "Syntheses and in vitro evaluation of decalinvesamicol analogues as potential imaging probes for vesicular acetylcholine transporter (VAChT)". experimental part. p. 4936 - 4941. Retrieved 2012/10/08.