4-(4-Methyl-piperidin-1-yl)-benzonitrile

Base Information

Chemical Name:4-(4-Methyl-piperidin-1-yl)-benzonitrile
CAS No.:85872-87-3
Molecular Formula:C₁₃H₁₆N₂
Molecular Weight:200.283
Hs Code.:
DSSTox Substance ID:DTXSID90389977
Nikkaji Number:J863.799G
Wikidata:Q82186301
Mol file:85872-87-3.mol

Synonyms:4-(4-Methyl-piperidin-1-yl)-benzonitrile;85872-87-3;4-(4-methylpiperidin-1-yl)benzonitrile;4-(4-Methylpiperidin1-yl)benzonitrile;TimTec1_008214;SCHEMBL1748901;DTXSID90389977;JDTREFVKULGGHT-UHFFFAOYSA-N;HMS1557F08;4-(4-Methylpiperidino)benzonitrile;MFCD03854611;STL414923;AKOS000218313;FS-3300;EN300-232511;SR-01000321456;SR-01000321456-1;BRD-K78275250-001-02-3;Z126933944

Suppliers and Price of 4-(4-Methyl-piperidin-1-yl)-benzonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
4-(4-Methyl-piperidin-1-yl)-benzonitrile 95+%
5g
$ 405.00

Chemenu
4-(4-Methyl-piperidin-1-yl)-benzonitrile 95%
5g
$ 382.00

Total 2 raw suppliers

Chemical Property of 4-(4-Methyl-piperidin-1-yl)-benzonitrile

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:200.131348519
Heavy Atom Count:15
Complexity:237

Purity/Quality:: 4-(4-Methyl-piperidin-1-yl)-benzonitrile 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1CCN(CC1)C2=CC=C(C=C2)C#N

Technology Process of 4-(4-Methyl-piperidin-1-yl)-benzonitrile

There total 3 articles about 4-(4-Methyl-piperidin-1-yl)-benzonitrile 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: 88.0%

: 626-58-4
4-methylpiperidin

: 34916-10-4
4-cyanocyclohexanone

: 85872-87-3
4-(4-methylpiperidin-1-yl)-benzonitrile

Guidance literature:: With 1,4-diaza-bicyclo[2.2.2]octane; tert-butylammonium hexafluorophosphate(V); acetic acid; In acetonitrile; at 60 ℃; for 20h; Electrochemical reaction; Schlenk technique;
DOI:10.1021/acs.orglett.1c04129

Reference yield:

: 626-58-4
4-methylpiperidin

: 1194-02-1,143234-87-1
4-fluorobenzonitrile

: 85872-87-3
4-(4-methylpiperidin-1-yl)-benzonitrile

Guidance literature:: In neat (no solvent); at 180 ℃;

Reference yield:

: 108-89-4
picoline

: 85872-87-3
4-(4-methylpiperidin-1-yl)-benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) Na, 2.) H₂ / 2.) Pd/C / 1.) ethanol, reflux

2: neat (no solvent) / 180 °C

With hydrogen; sodium; palladium on activated charcoal; In neat (no solvent);