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

Base Information Edit

Chemical Name:Tert-butyl 4-(4-cyanophenyl)piperazine-1-carboxylate
CAS No.:186650-98-6
Molecular Formula:C16H21N3O2
Molecular Weight:287.362
Hs Code.:2933599090
DSSTox Substance ID:DTXSID30383732
Nikkaji Number:J2.135.910F
Wikidata:Q82175522
Mol file:186650-98-6.mol

Synonyms:186650-98-6;tert-butyl 4-(4-cyanophenyl)piperazine-1-carboxylate;1-Boc-4-(4-cyanophenyl)piperazine;TERT-BUTYL 4-(4-CYANOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE;4-(4-BOC-PIPERAZINO)BENZONITRILE;4-(4-Cyano-phenyl)-piperazine-1-carboxylic acid tert-butyl ester;1-Piperazinecarboxylic acid, 4-(4-cyanophenyl)-, 1,1-dimethylethyl ester;MFCD03791198;SCHEMBL2471189;DTXSID30383732;WIBWVYVIBJOVIW-UHFFFAOYSA-N;AB3366;AKOS005069950;AC-7314;SB34649;SY005696;CS-0097446;FT-0680237;EN300-233752;2W-0343;4-(Piperazin-4-yl)benzonitrile,N1-BOC protected;n-tert-butoxycarbonyl-4-(4-cyanophenyl)piperazine;t-butyl 4-(4-cyanophenyl)piperazine-1-carboxylate;4-(Piperazin-4-yl)benzonitrile, N1-BOC protected;n-tert-butoxycarbonyl-4-(4-cyanophenyl) piperazine;tert-butyl4-(4-cyanophenyl)piperazine-1-carboxylate;W-206359;4-(4-Cyanophenyl)piperazine-1-carboxylic acid tert-butyl ester;4-(4-cyanophenyl)piperazine-1-carboxylic Acid, Tert-Butyl Ester;1-Piperazinecarboxylicacid,4-(4-cyanophenyl)-,1,1-dimethylethyl ester

Suppliers and Price of Tert-butyl 4-(4-cyanophenyl)piperazine-1-carboxylate

Supply Marketing:Edit

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-(4-cyanophenyl)piperazine
100mg
$ 75.00

SynQuest Laboratories
4-(Piperazin-4-yl)benzonitrile, N1-Boc protected 97%
1 g
$ 16.00

Matrix Scientific
tert-Butyl 4-(4-cyanophenyl)tetrahydro-1(2H)-pyrazinecarboxylate >95%
5g
$ 698.00

Matrix Scientific
tert-Butyl 4-(4-cyanophenyl)tetrahydro-1(2H)-pyrazinecarboxylate >95%
1g
$ 304.00

Matrix Scientific
tert-Butyl 4-(4-cyanophenyl)tetrahydro-1(2H)-pyrazinecarboxylate >95%
500mg
$ 244.00

J&W Pharmlab
4-(4-Cyano-phenyl)-piperazine-1-carboxylicacidtert-butylester 97%
5g
$ 55.00

J&W Pharmlab
4-(4-Cyano-phenyl)-piperazine-1-carboxylicacidtert-butylester 97%
1g
$ 15.00

J&W Pharmlab
4-(4-Cyano-phenyl)-piperazine-1-carboxylicacidtert-butylester 97%
25g
$ 190.00

Chemenu
tert-Butyl4-(4-cyanophenyl)piperazine-1-carboxylate 95%+
10g
$ 218.00

Chemenu
tert-Butyl4-(4-cyanophenyl)piperazine-1-carboxylate 95%+
5g
$ 137.00

Total 21 raw suppliers

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

Chemical Property:

Vapor Pressure:3.86E-08mmHg at 25°C
Melting Point:128-126 °C
Refractive Index:1.571
Boiling Point:445.7 °C at 760 mmHg
Flash Point:223.4 °C
PSA：56.57000
Density:1.17 g/cm³
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:405

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

Pictogram(s):
Hazard Codes: Harmful:;

MSDS Files:: SDS file from LookChem

Useful:

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

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

There total 7 articles about Tert-butyl 4-(4-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: 99.0%

: 623-03-0
4-Cyanochlorobenzene

: 57260-71-6
1-t-Butoxycarbonylpiperazine

: 186650-98-6
tert-butyl 4-(4-cyanophenyl)piperazine-1-carboxylate

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; C₃₃H₄₈N₇P; sodium t-butanolate; In toluene; at 80 ℃; for 24h; Inert atmosphere; Schlenk technique; Glovebox;
DOI:10.1002/ejoc.201403428