3-Piperidin-1-ylbenzonitrile

Base Information

Chemical Name:3-Piperidin-1-ylbenzonitrile
CAS No.:175696-74-9
Molecular Formula:C12H14N2
Molecular Weight:186.257
Hs Code.:2933399990
DSSTox Substance ID:DTXSID60427633
Nikkaji Number:J1.516.623A
Wikidata:Q72500627
Mol file:175696-74-9.mol

Synonyms:3-piperidin-1-ylbenzonitrile;175696-74-9;3-(Piperidin-1-yl)benzonitrile;3-Piperidinobenzonitrile;3-(1-piperidinyl)benzonitrile;3-piperidin-1-yl-benzonitrile;SCHEMBL4468086;DTXSID60427633;IMEMJQTXKKOYGR-UHFFFAOYSA-N;Benzonitrile, 3-(1-piperidinyl)-;MFCD07368527;AKOS006345245;SB41286;TS-02614;CS-0207016;FT-0692259;F14690;A812105;W-206230;(3R,4R)-3,4-Difluoro-1-pyrrolidinecarboxylicacidphenylmethylesterhydrochloride

Suppliers and Price of 3-Piperidin-1-ylbenzonitrile

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

SynQuest Laboratories
3-Piperidin-1-ylbenzonitrile 97%
1 g
$ 68.00

Matrix Scientific
3-Piperidin-1-ylbenzonitrile 97%
1g
$ 102.00

Matrix Scientific
3-Piperidin-1-ylbenzonitrile 97%
10g
$ 311.00

Crysdot
3-(Piperidin-1-yl)benzonitrile 95+%
25g
$ 503.00

Chemenu
3-Piperidin-1-ylbenzonitrile 95%
25g
$ 475.00

Atlantic Research Chemicals
3-Piperidin-1-ylbenzonitrile 95%
10gm:
$ 275.70

American Custom Chemicals Corporation
3-PIPERIDIN-1-YLBENZONITRILE 95.00%
1G
$ 658.53

AK Scientific
3-Piperidin-1-ylbenzonitrile
1g
$ 104.00

Total 14 raw suppliers

Chemical Property of 3-Piperidin-1-ylbenzonitrile

Chemical Property:

Vapor Pressure:0.000144mmHg at 25°C
Melting Point:133 °C
Refractive Index:1.577
Boiling Point:332.6 °C at 760 mmHg
Flash Point:144.8 °C
PSA：27.03000
Density:1.09 g/cm³
LogP:2.61358
Storage Temp.:2-8°C
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:186.115698455
Heavy Atom Count:14
Complexity:222

Purity/Quality:

97% ^*data from raw suppliers

3-Piperidin-1-ylbenzonitrile 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCN(CC1)C2=CC=CC(=C2)C#N

Technology Process of 3-Piperidin-1-ylbenzonitrile

There total 8 articles about 3-Piperidin-1-ylbenzonitrile 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: 92.0%

: 110-89-4
piperidine

: 403-54-3
m-Fluorobenzonitrile

: 175696-74-9
3-(piperidin-1-yl)benzonitrile

Guidance literature:: In various solvent(s); at 180 ℃; for 5h; Irradiation;
DOI:10.1016/S0040-4039(01)00582-2

Reference yield: 92.0%

: 2156-71-0
N-chloropiperidine

: 6952-59-6
3-cyanobromobenzene

: 175696-74-9
3-(piperidin-1-yl)benzonitrile

Guidance literature:: 3-cyanobromobenzene; With TurboGrignard; In tetrahydrofuran; at 0 ℃; for 3h;

N-chloropiperidine; With N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; at -40 - 0 ℃; chemoselective reaction;
DOI:10.1021/ol100235b

Reference yield: 71.0%

: 110-89-4
piperidine

: 214360-46-0
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

: 175696-74-9
3-(piperidin-1-yl)benzonitrile

Guidance literature:: With copper diacetate; boric acid; In acetonitrile; at 80 ℃; for 24h; Molecular sieve; Sealed tube;
DOI:10.1021/jacs.6b12800