2-(4-Bromophenyl)piperidine

Base Information

• Chemical Name: 2-(4-Bromophenyl)piperidine
• CAS No.: 383128-14-1
• Molecular Formula: C11H14 Br N
• Molecular Weight: 240.14
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80402048
• Mol file: 383128-14-1.mol

Synonyms:2-(4-bromophenyl)piperidine;383128-14-1;2-(4-BROMO-PHENYL)-PIPERIDINE;SCHEMBL1764741;DTXSID80402048;BBL020728;MFCD02663580;STK893418;AKOS001476387;AB12068;VS-07112;BB 0260376;CS-0132036;FT-0747847;N12351;EN300-1911791;A824103;4-Acetamino-4 inverted exclamation mark -nitrodiphenylsulfone-2 inverted exclamation mark -sulfonamide

Chemical Property of 2-(4-Bromophenyl)piperidine

Chemical Property:

• Boiling Point: 305.1±35.0 °C(Predicted)
• PKA: 9.49±0.10(Predicted)
• PSA: 12.03000
• Density: 1.313±0.06 g/cm3(Predicted)
• LogP: 3.59250
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 239.03096
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCNC(C1)C2=CC=C(C=C2)Br

Technology Process of 2-(4-Bromophenyl)piperidine

There total 5 articles about 2-(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: 92.0%

2-(4-bromophenyl]pyridine (63996-36-1) → 2-(4-bromophenyl)piperidine (383128-14-1,1228557-30-9)

Guidance literature:

With triphenylborane; diphenylsilane; diphenylamine; In toluene; at 110 ℃; for 24h; chemoselective reaction; Glovebox; Inert atmosphere;

DOI:10.1002/anie.201702304

Reference yield:

6-(4-bromophenyl)-2,3,4,5,-tetrahydropyridine → 2-(4-bromophenyl)piperidine (383128-14-1,1228557-30-9)

Guidance literature:

With sodium tetrahydroborate; In ethanol;

DOI:10.1016/S0040-4039(99)00592-4

Reference yield:

Dithiocarbonic acid S-[4-(4-bromo-phenyl)-1-(1,3-dioxo-1,3-dihydro-isoindol-2-ylmethyl)-4-oxo-butyl] ester O-ethyl ester (188999-93-1) → 2-(4-bromophenyl)piperidine (383128-14-1,1228557-30-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 72 percent / n-Bu₃SnH, AIBN / benzene

2: hydrazine hydrate / methanol

3: sodium borohydride / ethanol

With sodium tetrahydroborate; 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; hydrazine hydrate; In methanol; ethanol; benzene;

DOI:10.1016/S0040-4039(99)00592-4

upstream raw materials:

Dithiocarbonic acid S-[4-(4-bromo-phenyl)-1-(1,3-dioxo-1,3-dihydro-isoindol-2-ylmethyl)-4-oxo-butyl] ester O-ethyl ester

2-[5-(4-bromo-phenyl)-5-oxo-pentyl]-isoindole-1,3-dione

2-(4-bromophenyl]pyridine

Downstream raw materials:

C₁₉H₂₅NO₃

C₂₂H₃₁NO₃

tert-butyl 2-(4-bromophenyl)piperidine-1-carboxylate

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