Tert-butyl 4-(4-cyanophenylsulfonyl)piperidine-1-carboxylate

Base Information

Chemical Name:Tert-butyl 4-(4-cyanophenylsulfonyl)piperidine-1-carboxylate
CAS No.:797750-44-8
Molecular Formula:C17H22 N2 O4 S
Molecular Weight:350.439
Hs Code.:
DSSTox Substance ID:DTXSID20695336
Wikidata:Q82624488
Mol file:797750-44-8.mol

Synonyms:797750-44-8;tert-butyl 4-(4-cyanophenylsulfonyl)piperidine-1-carboxylate;4-(4-CYANO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;4-(4-cyanophenylsulfonyl)piperidine-1-carboxylic acid tert-butyl ester;SCHEMBL15232168;DTXSID20695336;OWFPVJFGUSFXBF-UHFFFAOYSA-N;tert-butyl 4-(4-cyanophenyl)sulfonylpiperidine-1-carboxylate;FT-0718746;tert-Butyl 4-(4-cyanobenzene-1-sulfonyl)piperidine-1-carboxylate

Suppliers and Price of Tert-butyl 4-(4-cyanophenylsulfonyl)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

Labseeker
4-(4-cyano-benzenesulfonyl)-piperidine-1-carboxylicacidtert-butylester 95
25g
$ 3588.00

Total 4 raw suppliers

Chemical Property of Tert-butyl 4-(4-cyanophenylsulfonyl)piperidine-1-carboxylate

Chemical Property:

PSA：95.85000
LogP:3.75018
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:350.13002836
Heavy Atom Count:24
Complexity:593

Purity/Quality:

99% ^*data from raw suppliers

4-(4-cyano-benzenesulfonyl)-piperidine-1-carboxylicacidtert-butylester 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)S(=O)(=O)C2=CC=C(C=C2)C#N

Technology Process of Tert-butyl 4-(4-cyanophenylsulfonyl)piperidine-1-carboxylate

There total 7 articles about Tert-butyl 4-(4-cyanophenylsulfonyl)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: 88.0%

: 557-21-1
zinc(II) cyanide

: 226398-62-5
4-(4-bromobenzenesulfonyl)piperidine-1-carboxylic acid tert-butyl ester

: 797750-44-8
4-(4-cyanobenzenesulfonyl)piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 85 ℃; Inert atmosphere;

Reference yield:

: 557-21-1
dicyanozinc

: 226398-62-5
4-(4-bromobenzenesulfonyl)piperidine-1-carboxylic acid tert-butyl ester

: 797750-44-8
4-(4-cyanobenzenesulfonyl)piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N-methylpirrolidine; at 160 ℃; for 0.5h;

Reference yield:

: 109384-19-2
t-butyl 4-hydroxy piperidine-1-carboxylate

: 797750-44-8
4-(4-cyanobenzenesulfonyl)piperidine-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: di-isopropyl azodicarboxylate; triphenylphosphine / tetrahydrofuran / 12 h / 25 °C

2: 3-chloro-benzenecarboperoxoic acid / chloroform / 5 h / 25 °C

3: tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 1,1'-bis-(diphenylphosphino)ferrocene / N,N-dimethyl-formamide / 12 h / 120 °C

With 1,1'-bis-(diphenylphosphino)ferrocene; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; di-isopropyl azodicarboxylate; 3-chloro-benzenecarboperoxoic acid; triphenylphosphine; In tetrahydrofuran; chloroform; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2013.06.090