4-(Benzyloxy)-3-oxobutanenitrile

Base Information

Chemical Name:4-(Benzyloxy)-3-oxobutanenitrile
CAS No.:118602-96-3
Molecular Formula:C11H11NO2
Molecular Weight:189.214
Hs Code.:
DSSTox Substance ID:DTXSID30562621
Wikidata:Q82446871

Synonyms:4-(BENZYLOXY)-3-OXOBUTANENITRILE;118602-96-3;3-oxo-4-phenylmethoxybutanenitrile;4-Benzyloxy-3-oxo-butyronitrile;SCHEMBL956809;4-benzyloxy-3-ketobutanenitrile;DTXSID30562621;YSKQUFWFVBBDFD-UHFFFAOYSA-N;MFCD20482831;SY273320;CS-0456883;A804060

Suppliers and Price of 4-(Benzyloxy)-3-oxobutanenitrile

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

Total 2 raw suppliers

Chemical Property of 4-(Benzyloxy)-3-oxobutanenitrile

Chemical Property:

XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:189.078978594
Heavy Atom Count:14
Complexity:223

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)COCC(=O)CC#N

Technology Process of 4-(Benzyloxy)-3-oxobutanenitrile

There total 4 articles about 4-(Benzyloxy)-3-oxobutanenitrile 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: 31.0%

: 32122-09-1
ethyl benzyloxyacetate

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

: 118602-96-3
4-benzyloxy-3-oxobutyronitrile

Guidance literature:: With sodium hydride; In tetrahydrofuran; mineral oil; at 20 - 50 ℃; for 12h; Inert atmosphere;

Reference yield:

: 100-39-0
benzyl bromide

: 118602-96-3
4-benzyloxy-3-oxobutyronitrile

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydride / tetrahydrofuran; mineral oil / 0.5 h / 0 °C / Inert atmosphere

1.2: 12 h / 0 - 20 °C

2.1: sodium hydride / tetrahydrofuran; mineral oil / 12 h / 20 - 50 °C / Inert atmosphere

With sodium hydride; In tetrahydrofuran; mineral oil;

Reference yield:

: 100-51-6,185532-71-2
benzyl alcohol

: 118602-96-3
4-benzyloxy-3-oxobutyronitrile

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydride / toluene / 4.5 h / 20 °C

1.2: 1.75 h / 20 °C / Cooling with ice

2.1: n-butyllithium / tetrahydrofuran; hexane / 2 h / -78 °C / Inert atmosphere

2.2: 1 h / -78 °C

With n-butyllithium; sodium hydride; In tetrahydrofuran; hexane; toluene;