1-(4-Iodobenzyl)piperidine

Base Information

• Chemical Name: 1-(4-Iodobenzyl)piperidine
• CAS No.: 651022-26-3
• Molecular Formula: C12H16IN
• Molecular Weight: 301.17
• Hs Code.: 2933399090
• European Community (EC) Number: 835-427-9
• DSSTox Substance ID: DTXSID00428760
• Nikkaji Number: J3.553.797J
• Wikidata: Q82241581
• Mol file: 651022-26-3.mol

Synonyms:1-(4-Iodobenzyl)piperidine;651022-26-3;1-[(4-iodophenyl)methyl]piperidine;4-(N-piperidinylmethyl)iodobenzene;SCHEMBL3863339;DTXSID00428760;UBTQOFNYBSZILI-UHFFFAOYSA-N;MFCD06797859;CS-0257660;FT-0705275;J3.553.797J;EN300-6749041;A905645;A1-32062;Z1263634569

Chemical Property of 1-(4-Iodobenzyl)piperidine

Chemical Property:

• Vapor Pressure: 0.00075mmHg at 25°C
• Boiling Point: 306.9oC at 760 mmHg
• PKA: 8.71±0.10(Predicted)
• Flash Point: 139.4oC
• PSA: 3.24000
• Density: 1.521g/cm3
• LogP: 3.21500
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 301.03275
• Heavy Atom Count: 14
• Complexity: 158

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Iodobenzyl)piperidine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CC2=CC=C(C=C2)I

Technology Process of 1-(4-Iodobenzyl)piperidine

There total 4 articles about 1-(4-Iodobenzyl)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: 93.0%

N-(4-iodo-thiobenzoyl)piperidine → 4-(N-piperidinylmethyl)iodobenzene (651022-26-3)

Guidance literature:

With bromopentacarbonylmanganese(I); hydrogen; triethylamine; copper(I) bromide; at 100 ℃; for 1h; under 22502.3 Torr; Autoclave;

Reference yield: 76.0%

(4-iodo-phenyl)-piperidin-1-yl-methanone (116772-67-9) → 4-(N-piperidinylmethyl)iodobenzene (651022-26-3)

Guidance literature:

With diethoxymethylane; zinc diacetate; In tetrahydrofuran; at 65 ℃; chemoselective reaction; Inert atmosphere;

DOI:10.1002/chem.201101143

Reference yield: 67.0%

→ 4-(N-piperidinylmethyl)iodobenzene (651022-26-3)

Guidance literature:

upstream raw materials:

piperidine

1-bromomethyl-4-iodobenzene

(4-iodo-phenyl)-piperidin-1-yl-methanone

Downstream raw materials:

3,17β-bis(hydroxy)-7α-[6-(4-piperidin-1-ylmethyl-phenyl)-hex-5-ynyl]-estra-1,3,5(10)-triene