2-(4-Methylpiperidin-1-yl)benzonitrile

Base Information

Chemical Name:2-(4-Methylpiperidin-1-yl)benzonitrile
CAS No.:158115-67-4
Molecular Formula:C13H16N2
Molecular Weight:200.27954
Hs Code.:2933399090
DSSTox Substance ID:DTXSID60565625
Wikidata:Q82450828
Mol file:158115-67-4.mol

Synonyms:2-(4-Methylpiperidin-1-yl)benzonitrile;158115-67-4;2-(4-Methylpiperidino)benzonitrile;Benzonitrile, 2-(4-methyl-1-piperidinyl)-;SCHEMBL13176022;DTXSID60565625;MFCD11037367;AKOS000261439;SB43172;BS-21584;CS-0209084;A883451

Suppliers and Price of 2-(4-Methylpiperidin-1-yl)benzonitrile

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
2-(4-Methylpiperidin-1-yl)benzonitrile
100mg
$ 75.00

Crysdot
2-(4-Methylpiperidin-1-yl)benzonitrile 95+%
25g
$ 565.00

Chemenu
2-(4-Methylpiperidin-1-yl)benzonitrile 95%
25g
$ 534.00

American Custom Chemicals Corporation
2-(4-METHYLPIPERIDIN-1-YL)BENZONITRILE 95.00%
5MG
$ 498.60

Alichem
2-(4-Methylpiperidin-1-yl)benzonitrile
25g
$ 593.84

AK Scientific
2-(4-Methylpiperidino)benzonitrile
1g
$ 131.00

Total 9 raw suppliers

Chemical Property of 2-(4-Methylpiperidin-1-yl)benzonitrile

Chemical Property:

Boiling Point:341.9±25.0 °C(Predicted)
PKA:6.28±0.20(Predicted)
PSA：27.03000
Density:1.07±0.1 g/cm3(Predicted)
LogP:2.85958
Storage Temp.:2-8°C
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:200.131348519
Heavy Atom Count:15
Complexity:245

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Methylpiperidin-1-yl)benzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCN(CC1)C2=CC=CC=C2C#N

Technology Process of 2-(4-Methylpiperidin-1-yl)benzonitrile

There total 5 articles about 2-(4-Methylpiperidin-1-yl)benzonitrile 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: 95.0%

: 626-58-4
4-methylpiperidin

: 394-47-8
2-fluorobenzonitrile

: 158115-67-4
2-(4-Methylpiperidin-1-yl)benzonitril

Guidance literature:: With potassium carbonate; In dimethyl sulfoxide; at 85 - 90 ℃; for 10h;
DOI:10.1515/znb-1999-1217

Reference yield:

: 201230-82-2
carbon monoxide

: 157428-87-0
2-cyano-N-(3-methylbut-3-enyl)benzenamine

: 2-(4-Methyl-3,4-dihydro-2H-pyridin-1-yl)-benzonitrile

: 158115-67-4
2-(4-Methylpiperidin-1-yl)benzonitril

Guidance literature:: With hydrogen; dirhodium tetraacetate; triphenylphosphine; In ethyl acetate; at 80 ℃; for 20h; under 20685.9 Torr;

Reference yield:

: 80352-66-5
4-mesyloxy-2-methylbutene

: 158115-67-4
2-(4-Methylpiperidin-1-yl)benzonitril

Guidance literature:: Multi-step reaction with 2 steps

1: 38 percent / 63 h / 100 °C

2: H₂ / 2, Ph₃P / ethyl acetate / 20 h / 80 °C / 20685.9 Torr

With hydrogen; dirhodium tetraacetate; triphenylphosphine; In ethyl acetate;