Tert-butyl 4-(2-cyanophenyl)piperazine-1-carboxylate

Base Information

Chemical Name:Tert-butyl 4-(2-cyanophenyl)piperazine-1-carboxylate
CAS No.:179250-25-0
Molecular Formula:C16H21 N3 O2
Molecular Weight:287.362
Hs Code.:2933599090
DSSTox Substance ID:DTXSID10593357
Wikidata:Q82487825
Mol file:179250-25-0.mol

Synonyms:179250-25-0;TERT-BUTYL 4-(2-CYANOPHENYL)PIPERAZINE-1-CARBOXYLATE;1-BOC-4-(2-cyanophenyl)piperazine;MFCD08275016;1-Piperazinecarboxylic acid, 4-(2-cyanophenyl)-, 1,1-dimethylethyl ester;AB3365;SCHEMBL652792;DTXSID10593357;OLDBLJCXZXMUEO-UHFFFAOYSA-N;AKOS015998928;1-Boc-4-(2-cyano-phenyl)-piperazine;AB44542;AM90068;BS-21858;DA-09124;SY042537;CS-0209753;EN300-137938;A881266;2-[4-(t-Butoxycarbonyl)piperazin-1-yl]benzonitrile;4-(2-Cyano-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

Suppliers and Price of Tert-butyl 4-(2-cyanophenyl)piperazine-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

TRC
1-BOC-4-(2-cyanophenyl)piperazine
100mg
$ 45.00

American Custom Chemicals Corporation
TERT-BUTYL-4-(2-CYANOPHENYL)PIPERAZINE-1-CARBOXYLATE 95.00%
5MG
$ 495.78

AK Scientific
tert-Butyl4-(2-cyanophenyl)piperazine-1-carboxylate
1g
$ 157.00

Total 13 raw suppliers

Chemical Property of Tert-butyl 4-(2-cyanophenyl)piperazine-1-carboxylate

Chemical Property:

PSA：56.57000
LogP:2.61828
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:287.16337692
Heavy Atom Count:21
Complexity:413

Purity/Quality:

97% ^*data from raw suppliers

1-BOC-4-(2-cyanophenyl)piperazine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2C#N

Technology Process of Tert-butyl 4-(2-cyanophenyl)piperazine-1-carboxylate

There total 5 articles about Tert-butyl 4-(2-cyanophenyl)piperazine-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: 71.0%

: 179250-25-0
4-(2-cyano-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

Guidance literature:: With bis(tri-t-butylphosphine)palladium⁽⁰⁾; sodium t-butanolate; In toluene; at 100 ℃; for 5h; Inert atmosphere;

Reference yield: 58.0%

: 77278-40-1
tert-butyl 4-(benzoyloxy)piperazine-1-carboxylate

: 100-47-0
benzonitrile

: 179250-25-0
4-(2-cyano-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

Guidance literature:: benzonitrile; With 1.1C₉H₁₈N^(1-)*C₄H₁₀Zn*2Li⁽¹⁺⁾; In tetrahydrofuran; hexane; at 20 ℃; for 1h; Inert atmosphere; Schlenk technique;

tert-butyl 4-(benzoyloxy)piperazine-1-carboxylate; With copper(II) 2-ethylhexanoate; In tetrahydrofuran; hexane; at 20 ℃; for 24h; regioselective reaction; Inert atmosphere; Schlenk technique;
DOI:10.1021/jacs.7b07661