Phenaceturonitrile

Base Information

Chemical Name:Phenaceturonitrile
CAS No.:5467-51-6
Molecular Formula:C19H13N3O3
Molecular Weight:174.202
Hs Code.:
NSC Number:408430,28049
DSSTox Substance ID:DTXSID60969962
Nikkaji Number:J2.059.355E
Wikidata:Q82953038

Synonyms:Phenaceturonitrile;5467-51-6;N-Phenylacetylglycinonitrile;n-(cyanomethyl)-2-phenylacetamide;NSC28049;TimTec1_003150;N-Cyanomethyl phenylacetamide;Oprea1_004819;SCHEMBL10612693;DTXSID60969962;VTGAHHSISUODFE-UHFFFAOYSA-N;HMS1542P04;N-(cyanomethyl)-2-phenyl-acetamide;NSC-28049;NSC408430;AKOS003260250;NSC-408430;N-(Cyanomethyl)-2-phenylethanimidic acid

Suppliers and Price of Phenaceturonitrile

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 5 raw suppliers

Chemical Property of Phenaceturonitrile

Chemical Property:

Density:1.456g/cm³
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:174.079312947
Heavy Atom Count:13
Complexity:210

Purity/Quality:: 90%,98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Phenaceturonitrile

There total 10 articles about Phenaceturonitrile 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: 96.0%

: 1867-37-4
Benzylmalononitrile

: 540-61-4
2-aminoacetonitrile

: 5467-51-6
N-(cyanomethyl)-2-phenylacetamide

Guidance literature:: With oxygen; potassium carbonate; In acetonitrile; at 20 ℃; for 4.5h; under 760.051 Torr; chemoselective reaction; Inert atmosphere;
DOI:10.1002/anie.201603399

Reference yield: 91.0%

: N-(2-hydroxyimino-ethyl)-2-phenyl-acetamide

: 5467-51-6
N-(cyanomethyl)-2-phenylacetamide

Guidance literature:: N-(2-hydroxyimino-ethyl)-2-phenyl-acetamide; With 2-chloro-1-methyl-pyridinium iodide; In dichloromethane; at 20 ℃; for 0.166667h;

With triethylamine; In dichloromethane; at 20 ℃; for 1h;
DOI:10.1081/SCC-120034158