tert-Butyl 4-(4-cyanobenzyl)piperidine-1-carboxylate

Base Information

Chemical Name:tert-Butyl 4-(4-cyanobenzyl)piperidine-1-carboxylate
CAS No.:1021363-43-8
Molecular Formula:C18H24N2O2
Molecular Weight:300.401
Hs Code.:2933399090
DSSTox Substance ID:DTXSID10468339
Wikidata:Q82295510
Mol file:1021363-43-8.mol

Synonyms:tert-Butyl 4-(4-cyanobenzyl)piperidine-1-carboxylate;1021363-43-8;Tert-butyl 4-[(4-cyanophenyl)methyl]piperidine-1-carboxylate;4-(4-Cyano-benzyl)-piperidine-1-carboxylic acid tert-butyl ester;SCHEMBL3146175;DTXSID10468339;2-Methyl-2-propanyl 4-(4-cyanobenzyl)-1-piperidinecarboxylate;AMY10354;BCP31608;tert-Butyl4-(4-cyanobenzyl)piperidine-1-carboxylate

Suppliers and Price of tert-Butyl 4-(4-cyanobenzyl)piperidine-1-carboxylate

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
tert-Butyl4-(4-cyanobenzyl)piperidine-1-carboxylate 95+%
1g
$ 535.00

Total 6 raw suppliers

Chemical Property of tert-Butyl 4-(4-cyanobenzyl)piperidine-1-carboxylate

Chemical Property:

PSA：53.33000
LogP:3.68578
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:300.183778013
Heavy Atom Count:22
Complexity:416

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl4-(4-cyanobenzyl)piperidine-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CCC(CC1)CC2=CC=C(C=C2)C#N

Technology Process of tert-Butyl 4-(4-cyanobenzyl)piperidine-1-carboxylate

There total 5 articles about tert-Butyl 4-(4-cyanobenzyl)piperidine-1-carboxylate 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: 74.0%

: 333987-57-8
4-(piperidin-4-ylmethyl)benzonitrile

: 24424-99-5
di-tert-butyl dicarbonate

: 1021363-43-8
tert-butyl 4-[(4- cyanophenyl)methyl]piperidine-1-carboxylate

Guidance literature:: In 1,4-dioxane; water; at 20 ℃;

Reference yield: 70.0%

: 888729-74-6
tert-butyl 4-(4-cyanobenzylidene)piperidine-1-carboxylate

: 1021363-43-8
tert-butyl 4-[(4- cyanophenyl)methyl]piperidine-1-carboxylate

Guidance literature:: With hydrogen; palladium on activated charcoal; In tetrahydrofuran; methanol; at 20 ℃;
DOI:10.1021/jm051034q

Reference yield:

: 1552-41-6
diethyl [(4-cyanophenyl)methyl]phosphonate

: 1021363-43-8
tert-butyl 4-[(4- cyanophenyl)methyl]piperidine-1-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1.1: 15-crown-5; NaH / tetrahydrofuran / 20 °C

1.2: tetrahydrofuran / 20 °C

2.1: 70 percent / H₂ / Pd/C / methanol; tetrahydrofuran / 20 °C

With 15-crown-5; hydrogen; sodium hydride; palladium on activated charcoal; In tetrahydrofuran; methanol; 1.2: Horner-Wadsworth-Emmons reaction;
DOI:10.1021/jm051034q