1-Benzyl-4-Iodopiperidine

Base Information

• Chemical Name: 1-Benzyl-4-Iodopiperidine
• CAS No.: 109838-88-2
• Molecular Formula: C₁₂H₁₆IN
• Molecular Weight: 301.17
• DSSTox Substance ID: DTXSID901300070
• Mol file: 109838-88-2.mol

Synonyms:1-Benzyl-4-Iodopiperidine;1-Benzyl-4-iodo-piperidine;109838-88-2;N-Benzyl 4-iodo piperidine;SCHEMBL2005970;DTXSID901300070;4-Iodo-1-(phenylmethyl)piperidine;AM90639

Chemical Property of 1-Benzyl-4-Iodopiperidine

Chemical Property:

• 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:

1-Benzyl-4-iodopiperidine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCC1I)CC2=CC=CC=C2

Technology Process of 1-Benzyl-4-Iodopiperidine

There total 4 articles about 1-Benzyl-4-Iodopiperidine 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%

1-benzyl-4-fluoropiperidine (764664-42-8) → 1-benzyl-4-fluoropiperidine (109838-88-2)

Guidance literature:

With YbI₃; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1002/anie.201306104

Reference yield: 81.0%

1-benzyl-4-hydroxypiperidine (4727-72-4) → 1-benzyl-4-fluoropiperidine (109838-88-2)

Guidance literature:

With 1H-imidazole; iodine; triphenylphosphine; In dichloromethane; at 20 ℃;

DOI:10.1021/ol503043r

Reference yield:

benzylamine (100-46-9) → 1-benzyl-4-fluoropiperidine (109838-88-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / NaI / ethanol / 4 h / 75 °C

2: 92 percent / camphorsulfonic acid, NaI / H₂O / 0.17 h / 100 °C

With camphor-10-sulfonic acid; sodium iodide; In ethanol; water;

DOI:10.1021/ja00254a033

upstream raw materials:

benzylamine

1-benzyl-4-hydroxypiperidine

1-benzyl-4-fluoropiperidine

1-phenylmethyl-4-piperidone

Downstream raw materials:

1-(phenylmethyl)-4-phenylpiperidine

C₁₈H₂₇NO₂