2-Methylhexanenitrile

Base Information

Chemical Name:2-Methylhexanenitrile
CAS No.:20654-42-6
Molecular Formula:C7H13N
Molecular Weight:111.187
Hs Code.:
DSSTox Substance ID:DTXSID70458231
Nikkaji Number:J1.013.711J
Mol file:20654-42-6.mol

Synonyms:2-methylhexanenitrile;20654-42-6;2-Methylcapronitrile;Hexanenitrile, 2-methyl-;Hexanenitrile, 2-methyl;SCHEMBL1343853;DTXSID70458231;PZYFAYMXLISRGL-UHFFFAOYSA-N;AKOS006280243;EN300-1847979

Suppliers and Price of 2-Methylhexanenitrile

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

American Custom Chemicals Corporation
2-METHYLHEXANENITRILE 95.00%
5MG
$ 497.30

Total 3 raw suppliers

Chemical Property of 2-Methylhexanenitrile

Chemical Property:

PSA：23.79000
LogP:2.33628
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:111.104799419
Heavy Atom Count:8
Complexity:87.8

Purity/Quality:

99% ^*data from raw suppliers

2-METHYLHEXANENITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC(C)C#N

Technology Process of 2-Methylhexanenitrile

There total 5 articles about 2-Methylhexanenitrile 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: 25.0%

: 629-08-3
heptanenitrile

: 20654-42-6
2-methylhexanonitrile

Guidance literature:: With nickel(II) acetate tetrahydrate; triphenylphosphine; zinc; In 1-methyl-pyrrolidin-2-one; at 90 ℃; for 15h; Autoclave;

Reference yield:

: C₁₄H₂₅BN^(1-)*Na⁽¹⁺⁾

: 5953-49-1
2-hexyl acetate

: 20654-42-6
2-methylhexanonitrile

Guidance literature:: With lead(IV) acetate; sodium cyanide; Yield given. Multistep reaction; 1) THF, 20 deg C, 5 min, 2) THF, -20 deg C, 12 h;
DOI:10.1039/c39840000398

Reference yield:

: 592-41-6,25067-06-5
1-hexene

: 75-86-5
2-hydroxy-2-methylpropanenitrile

: 629-08-3
heptanenitrile

: 20654-42-6
2-methylhexanonitrile

Guidance literature:: With nickel(II) chloride hexahydrate; 1,3-bis-(diphenylphosphino)propane; zinc; In N,N-dimethyl-formamide; at 90 ℃; for 15h; under 3750.38 Torr; Overall yield = 94 %Chromat.; Autoclave; Inert atmosphere;
DOI:10.1016/j.tetlet.2016.06.036