Benzeneacetonitrile, alpha-((((dimethylamino)carbonyl)oxy)imino)-C145

Base Information

Chemical Name:Benzeneacetonitrile, alpha-((((dimethylamino)carbonyl)oxy)imino)-C145
CAS No.:25900-68-9
Molecular Formula:C11H11 N3 O2
Molecular Weight:217.2239
Hs Code.:
Mol file:25900-68-9.mol

Synonyms:Benzeneacetonitrile, alpha-((((dimethylamino)carbonyl)oxy)imino)-C145;25900-68-9;A 740;A-740;Phenyl-O-(dimethylcarbamoyl)oxime glyoxylonitrile;[(E)-[cyano(phenyl)methylidene]amino] N,N-dimethylcarbamate;LS-29042

Suppliers and Price of Benzeneacetonitrile, alpha-((((dimethylamino)carbonyl)oxy)imino)-C145

Supply Marketing:

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

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Chemical Property of Benzeneacetonitrile, alpha-((((dimethylamino)carbonyl)oxy)imino)-C145

Chemical Property:

Vapor Pressure:0.001mmHg at 25°C
Boiling Point:310.427°C at 760 mmHg
Flash Point:141.541°C
PSA：65.69000
Density:1.111g/cm³
LogP:1.61248
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:217.085126602
Heavy Atom Count:16
Complexity:321

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C)C(=O)ON=C(C#N)C1=CC=CC=C1
Isomeric SMILES:CN(C)C(=O)O/N=C(/C#N)\C1=CC=CC=C1

Technology Process of Benzeneacetonitrile, alpha-((((dimethylamino)carbonyl)oxy)imino)-C145

There total 3 articles about Benzeneacetonitrile, alpha-((((dimethylamino)carbonyl)oxy)imino)-C145 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: 55.0%

: 825-52-5
2-(hydroxyimino)-2-phenylacetonitrile

: 79-44-7
N,N-Dimethylcarbamoyl chloride

: 25900-68-9
N-((dimethylcarbamoyl)oxy)benzimidoyl cyanide

Guidance literature:: With triethylamine; In dichloromethane; N,N-dimethyl-formamide; at 0 - 20 ℃;
DOI:10.1021/acs.jmedchem.1c00707

Reference yield:

: 140-29-4
phenylacetonitrile

: 25900-68-9
N-((dimethylcarbamoyl)oxy)benzimidoyl cyanide

Guidance literature:: Multi-step reaction with 2 steps

1: acetic acid; sodium nitrite / 12 h / 0 - 25 °C

2: triethylamine / dichloromethane; N,N-dimethyl-formamide / 0 - 20 °C

With acetic acid; triethylamine; sodium nitrite; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/acs.jmedchem.1c00707