alpha-Butyl-alpha-methylbenzeneacetonitrile

Base Information

Chemical Name:alpha-Butyl-alpha-methylbenzeneacetonitrile
CAS No.:4355-47-9
Molecular Formula:C₁₃H₁₇N
Molecular Weight:187.285
Hs Code.:
DSSTox Substance ID:DTXSID601293844

Synonyms:alpha-Butyl-alpha-methylbenzeneacetonitrile;DTXSID601293844;4355-47-9

Suppliers and Price of alpha-Butyl-alpha-methylbenzeneacetonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of alpha-Butyl-alpha-methylbenzeneacetonitrile

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:187.136099547
Heavy Atom Count:14
Complexity:207

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCC(C)(C#N)C1=CC=CC=C1

Technology Process of alpha-Butyl-alpha-methylbenzeneacetonitrile

There total 5 articles about alpha-Butyl-alpha-methylbenzeneacetonitrile 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: 81.0%

: 109-65-9
1-bromo-butane

: 53310-47-7
α-Ethylthio-α-phenyl-propionitril

: 4355-47-9
(+/-)-2-methyl-2-phenylhexanenitrike

Guidance literature:: With tri-n-butyltin lithium; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; Ambient temperature;
DOI:10.1246/cl.1985.1149

Reference yield:

: 106-99-0,130983-70-9,29406-96-0,9003-17-2
buta-1,3-diene

: 1823-91-2
1-phenylethyl cyanide

: 4355-47-9
(+/-)-2-methyl-2-phenylhexanenitrike

Guidance literature:: buta-1,3-diene; 1-phenylethyl cyanide; With potassium tert-butylate; In N,N-dimethyl-formamide; at 80 ℃; for 6h;

With hydrogen; palladium on activated charcoal; In ethyl acetate; under 2250.23 Torr; Further stages.;
DOI:10.1039/b715262k