Propanenitrile, 3-[(2-hydroxyethyl)phenylamino]-

Base Information

• Chemical Name: Propanenitrile, 3-[(2-hydroxyethyl)phenylamino]-
• CAS No.: 92-64-8
• Molecular Formula: C11H14N2O
• Molecular Weight: 190.245
• Hs Code.: 29269090
• European Community (EC) Number: 202-174-5
• DSSTox Substance ID: DTXSID6052617
• Nikkaji Number: J90.400G
• Wikidata: Q72458152
• Mol file: 92-64-8.mol

Synonyms:92-64-8;N-Cyanoethyl-N-hydroxyethylaniline;N-(2-Cyanoethyl)-N-(2-hydroxyethyl)aniline;Propanenitrile, 3-[(2-hydroxyethyl)phenylamino]-;N-Cyanoethyl-N-hydroxyethyl aniline;Emery 5724;3-[N-(2-hydroxyethyl)anilino]propanenitrile;Aniline, N-cyanoethyl-N-hydroxyethyl-;3-((2-Hydroxyethyl)phenylamino)propanenitrile;3-(N-(2-Hydroxyethyl)anilino)propiononitrile;EINECS 202-174-5;Propionitrile, 3-((2-hydroxyethyl)phenylamino)-;N-2-Hydroxyethyl-N-2-kyanethylanilin;N-Hydroxyethyl-N-beta-cyanoethylaniline;BRN 2369849;N-beta-Cyanoethyl-N-beta-hydroxyethylaniline;N-2-Hydroxyethyl-N-2-kyanethylanilin [Czech];Propionitrile, 3-(N-(2-hydroxyethyl)anilino)-;3-[(2-hydroxyethyl)(phenyl)amino]propanenitrile;Propanenitrile, 3-((2-hydroxyethyl)phenylamino)-;N-beta-Hydroxyethyl-N-beta-kyanethylanilin [Czech];N-beta-Hydroxyethyl-N-beta-kyanethylanilin;3-((2-hydroxyethyl)(phenyl)amino)propanenitrile;N-Cyanoethyl-hydroxyethyl aniline;Emery-5724;N-(2-Cyanoethyl)-N-(2-hydroxyethyl)-aniline;3-[N-(2-Hydroxyethyl)-N-phenylamino]propionitrile;SCHEMBL202397;DTXSID6052617;MFCD00035705;AKOS000180678;AC-10205;AS-14300;LS-124937;3-(N-(2-hydroxyethyl)anilino)propiononitril;3-[(2-Hydroxyethyl)anilino]propanenitrile #;3-[(2-Hydroxyethyl)phenylamino]propionitrile;3-[2-(2-hydroxyethyl)anilino]propanenitrile;CS-0204355;FT-0629129;n-(2-cyanoethyl)-n-(2-hydroxyethyl) aniline;N-.beta.-Hydroxyethyl-N-.beta.-kyanethylanilin;A844300;N-.beta.-Cyanoethyl-N-.beta.-hydroxyethylaniline;W-100278;Aniline, N-(.beta.-cyanoethyl)-N-(.beta.-hydroxyethyl)-

Chemical Property of Propanenitrile, 3-[(2-hydroxyethyl)phenylamino]-

Chemical Property:

• Vapor Pressure: 1.82E-06mmHg at 25°C
• Melting Point: 68 °C
• Refractive Index: n20/D 1.57(lit.)
• Boiling Point: 380.4 °C at 760 mmHg
• PKA: 14.51±0.10(Predicted)
• Flash Point: 183.9 °C
• PSA: 47.26000
• Density: 1.133 g/cm³
• LogP: 1.39898
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Not miscible or difficult to mix with water.
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 190.110613074
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

N-(2-Cyanoethyl)-N-(2-hydroxyethyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N(CCC#N)CCO
• Uses: N-(2-Cyanoethyl)-N-(2-hydroxyethyl)aniline is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.

Technology Process of Propanenitrile, 3-[(2-hydroxyethyl)phenylamino]-

There total 4 articles about Propanenitrile, 3-[(2-hydroxyethyl)phenylamino]- 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: 88.0%

acrylonitrile (107-13-1,25014-41-9) + aniline (62-53-3) + 2-chloro-ethanol (107-07-3) → 3-[(2-hydroxyethyl)(phenyl)amino]propanenitrile (92-64-8)

Guidance literature:

With C₂H₇N*H₂O₄P; at 30 ℃; for 20h; Reagent/catalyst; Temperature;

Reference yield:

oxirane (75-21-8,99932-75-9) + N-cyanoethylaniline (1075-76-9) → 3-[(2-hydroxyethyl)(phenyl)amino]propanenitrile (92-64-8)

Guidance literature:

Reference yield:

acrylonitrile (107-13-1,25014-41-9) + 2-Anilinoethanol (122-98-5) → 3-[(2-hydroxyethyl)(phenyl)amino]propanenitrile (92-64-8)

Guidance literature:

With acetic acid;

upstream raw materials:

oxirane

N-cyanoethylaniline

acrylonitrile

2-Anilinoethanol

Downstream raw materials:

2-[(2-cyanoethyl)phenylamino]ethyl ethylcarbamate

N-(2-cyanoethyl)-N-(2-iodoethyl)aniline

3-{(2-hydroxy-ethyl)-[4-(6-nitro-benzothiazol-2-ylazo)-phenyl]-amino}-propionitrile

N-β-acetoxyethyl-N-β-cyanoethylaniline

Refernces

Catalytic homogeneous CH-activation reactions of cyclooctane with [Ir(cod)LL]X complexes (LL = N,N-chelating ligands, amines, phosphines; X = Cl, PF₆)

10.1016/j.molcata.2008.01.023

The research focuses on the synthesis and application of novel [Ir(cod)LL]X complexes, where LL represents various chelating ligands, amines, and phosphines, and X denotes Cl or PF6. These iridium complexes were designed to catalyze the selective homogeneous dehydrogenation of cyclooctane to produce cyclooctene, a reaction that was found to be highly dependent on the ligand structure and temperature. The study involved the preparation of different iridium complexes and testing their catalytic activity and selectivity under various conditions. Reactants included [Ir(cod)Cl]2, NaPF6, and a range of ligands, while analyses were performed using techniques such as NMR spectroscopy, mass spectrometry, gas chromatography (GC), and elemental analysis to characterize the complexes and monitor the progress of the dehydrogenation reactions. The experiments also explored the influence of external additives like amines and phosphines on the catalytic performance, with the aim of enhancing the activities of the catalysts.