3-[Benzyl(2-oxo-2-phenylethyl)amino]propanenitrile

Base Information

Chemical Name:3-[Benzyl(2-oxo-2-phenylethyl)amino]propanenitrile
CAS No.:80896-11-3
Molecular Formula:C18H18N2O
Molecular Weight:278.354
Hs Code.:
DSSTox Substance ID:DTXSID00513044
Wikidata:Q82372588

Synonyms:80896-11-3;3-[Benzyl(2-oxo-2-phenylethyl)amino]propanenitrile;SCHEMBL10890079;DTXSID00513044

Suppliers and Price of 3-[Benzyl(2-oxo-2-phenylethyl)amino]propanenitrile

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 3 raw suppliers

Chemical Property of 3-[Benzyl(2-oxo-2-phenylethyl)amino]propanenitrile

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:278.141913202
Heavy Atom Count:21
Complexity:359

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CN(CCC#N)CC(=O)C2=CC=CC=C2

Technology Process of 3-[Benzyl(2-oxo-2-phenylethyl)amino]propanenitrile

There total 1 articles about 3-[Benzyl(2-oxo-2-phenylethyl)amino]propanenitrile 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:

: 706-03-6
3-(benzylamino)propionitrile

: 70-11-1
α-bromoacetophenone

: 80896-11-3
3-(N-benzyl-N-phenacylamino)propionitrile

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In acetone; Ambient temperature;
DOI:10.1002/hlca.19810640727

Reference yield: 97.0%

: 80896-11-3
3-(N-benzyl-N-phenacylamino)propionitrile

: 80896-16-8
3-propionitrile

Guidance literature:: With sodium tetrahydroborate; In methanol; Ambient temperature;
DOI:10.1002/hlca.19810640727

Reference yield:

: 80896-11-3
3-(N-benzyl-N-phenacylamino)propionitrile

: cis-2-benzyl-1,2,3,3a-tetrahydro-8aH-indeno<1,2-c>pyrrole-8-one oxime

Guidance literature:: Multi-step reaction with 7 steps

1: 97 percent / NaBH₄ / methanol / Ambient temperature

2: 87 percent / SOCl₂ / CHCl₃ / 2.5 h / Heating

3: 80 percent / NaN(TMS)2 / benzene; tetrahydrofuran / 1 h / 20 °C

4: 1.) HCl; 2.) HCl, H₂O / 1.) 15 h, reflux; 2.) 3 h, reflux

5: 96 percent / aq. Ba(OH)2 / ethanol / 15 h / Heating

6: 85 percent / P₂O₅, CH₃SO₃H / 1 h / 100 °C

7: 81 percent / NH₂OH*HCl, K₂CO₃ / methanol; H₂O / 3 h / Heating

With hydrogenchloride; barium dihydroxide; sodium tetrahydroborate; thionyl chloride; methanesulfonic acid; hydroxylamine hydrochloride; water; sodium hexamethyldisilazane; phosphorus pentoxide; potassium carbonate; In tetrahydrofuran; methanol; ethanol; chloroform; water; benzene;
DOI:10.1002/hlca.19810640727