4-(4-Fluorophenyl)-1-methylpiperidine-4-carbonitrile

Base Information

• Chemical Name: 4-(4-Fluorophenyl)-1-methylpiperidine-4-carbonitrile
• CAS No.: 258500-80-0
• Molecular Formula: C13H15FN2
• Molecular Weight: 218.274
• ChEMBL ID: CHEMBL324885
• DSSTox Substance ID: DTXSID60462362
• Nikkaji Number: J1.222.573C
• Wikidata: Q82286884

Synonyms:4-(4-fluorophenyl)-1-methylpiperidine-4-carbonitrile;258500-80-0;CHEMBL324885;SCHEMBL4657165;DTXSID60462362;AKRLCZYRAWNVRE-UHFFFAOYSA-N;BDBM50083524;1-N-methyl-4-(4-fluorophenyl)-4-cyanopiperidine;4-(4-Fluoro-phenyl)-1-methyl-piperidine-4-carbonitrile

Chemical Property of 4-(4-Fluorophenyl)-1-methylpiperidine-4-carbonitrile

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 218.12192665
• Heavy Atom Count: 16
• Complexity: 278

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCC(CC1)(C#N)C2=CC=C(C=C2)F

Technology Process of 4-(4-Fluorophenyl)-1-methylpiperidine-4-carbonitrile

There total 3 articles about 4-(4-Fluorophenyl)-1-methylpiperidine-4-carbonitrile 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:

2-(4-fluorophenyl)-2-(2,2-dimethoxyethyl)-4,4-dimethoxybutyronitrile (258500-73-1) → 4-(4-fluorophenyl)-1-methylpiperidine-4-carbonitrile (258500-80-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. HCl / 50 °C

2: 0.63 g / NaBH₃CN / methanol / 48 h

With hydrogenchloride; sodium cyanoborohydride; In methanol;

DOI:10.1021/jm0401614

Reference yield:

methylamine hydrochloride (593-51-1) + 2-(4-fluoro-phenyl)-4-oxo-2-(2-oxo-ethyl)-butyronitrile → 4-(4-fluorophenyl)-1-methylpiperidine-4-carbonitrile (258500-80-0)

Guidance literature:

With sodium cyanoborohydride; In methanol; for 48h;

DOI:10.1021/jm0401614

Reference yield:

methylamine (74-89-5) + 2-(4-fluoro-phenyl)-4-oxo-2-(2-oxo-ethyl)-butyronitrile → 4-(4-fluorophenyl)-1-methylpiperidine-4-carbonitrile (258500-80-0)

Guidance literature:

With sodium cyanoborohydride; In methanol;

DOI:10.1016/S0960-894X(99)00606-X

upstream raw materials:

methylamine

methylamine hydrochloride

2-(4-fluorophenyl)-2-(2,2-dimethoxyethyl)-4,4-dimethoxybutyronitrile

Downstream raw materials:

4-(4-fluorophenyl)-tert-butoxycarbonylpiperidine-4-carbonitrile

4-(4-fluorophenyl)-1-methyl-4-piperidinecarboxylic acid hydrochloride

4-(4-fluoro-phenyl)-4-(methanesulfonylamino-methyl)-piperidine-1-carboxylic acid tert-butyl ester

tert-butyl 4-(aminomethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate

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