5-Methyl-3-oxohexanenitrile

Base Information

Chemical Name:5-Methyl-3-oxohexanenitrile
CAS No.:64373-43-9
Molecular Formula:C7H11NO
Molecular Weight:125.17
Hs Code.:
European Community (EC) Number:865-050-5
DSSTox Substance ID:DTXSID80388757
Nikkaji Number:J2.367.918C
Wikidata:Q82183907
Mol file:64373-43-9.mol

Synonyms:5-methyl-3-oxohexanenitrile;64373-43-9;Cyanopinacolin;omega-Cyanpinakolin;3-Oxo-5-methylhexanenitrile;omega-Cyanpinakolin [German];SCHEMBL2478434;NIOSH/YV8524000;5,5-Dimethyl-3-oxovaleronitrile;DTXSID80388757;MWTCJTAGNBZWSO-UHFFFAOYSA-N;Valeronitrile, 5,5-dimethyl-3-oxo-;AKOS008118362;LS-161209;YV85240000;EN300-64199;F72375;Z360167452

Suppliers and Price of 5-Methyl-3-oxohexanenitrile

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
5-methyl-3-oxohexanenitrile
25mg
$ 65.00

American Custom Chemicals Corporation
5-METHYL-3-OXOHEXANENITRILE 95.00%
5G
$ 1759.28

American Custom Chemicals Corporation
5-METHYL-3-OXOHEXANENITRILE 95.00%
2.5G
$ 1363.65

American Custom Chemicals Corporation
5-METHYL-3-OXOHEXANENITRILE 95.00%
1G
$ 925.31

AK Scientific
5-Methyl-3-oxohexanenitrile
500mg
$ 483.00

Total 5 raw suppliers

Chemical Property of 5-Methyl-3-oxohexanenitrile

Chemical Property:

PSA：40.86000
LogP:1.51528
XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:125.084063974
Heavy Atom Count:9
Complexity:140

Purity/Quality:

99% ^*data from raw suppliers

5-methyl-3-oxohexanenitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)CC(=O)CC#N

Technology Process of 5-Methyl-3-oxohexanenitrile

There total 4 articles about 5-Methyl-3-oxohexanenitrile 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: 100.0%

: 556-24-1
methyl 3-methylbutanoate

: 75-05-8,26809-02-9
acetonitrile

: 64373-43-9
5-methyl-3-oxo-hexanenitrile

Guidance literature:: With sodium hydride; In tetrahydrofuran; for 5.5h; Heating / reflux;

Reference yield: 80.0%

: 372-09-8
cyanoacetic acid

: 108-12-3
isopentanoyl chloride

: 64373-43-9
5-methyl-3-oxo-hexanenitrile

Guidance literature:: cyanoacetic acid; With [2,2]bipyridinyl; n-butyllithium; magnesium sulfate; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

isopentanoyl chloride; In tetrahydrofuran; methanol; hexane; at -78 - 20 ℃; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; methanol; hexane; water;
DOI:10.1016/j.tetlet.2011.03.009