N-(2-Cyanoethyl)-N-ethylaniline

Base Information

• Chemical Name: N-(2-Cyanoethyl)-N-ethylaniline
• CAS No.: 148-87-8
• Molecular Formula: C11H14N2
• Molecular Weight: 174.246
• Hs Code.: 2926909090
• European Community (EC) Number: 205-728-4
• NSC Number: 81243
• UNII: 465EKH3OG1
• DSSTox Substance ID: DTXSID4044587
• Nikkaji Number: J33.835D
• Wikidata: Q27258902
• ChEMBL ID: CHEMBL3183872
• Mol file: 148-87-8.mol

Synonyms:CEPEA;N-(2-cyanoethyl)-2-phenylethylamine

Chemical Property of N-(2-Cyanoethyl)-N-ethylaniline

Chemical Property:

• Appearance/Colour: yellow to brown liquid
• Vapor Pressure: 0.000547mmHg at 25°C
• Refractive Index: 1.551
• Boiling Point: 311.9 °C at 760 mmHg
• PKA: 5.27±0.50(Predicted)
• Flash Point: 132.8 °C
• PSA: 27.03000
• Density: 1.022 g/cm³
• LogP: 2.42658
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 174.115698455
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

3-(Ethylphenylamino)propanenitrile ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN(CCC#N)C1=CC=CC=C1
• Uses: 3-Ethylanilinopropiononitrile is a reagent used in the synthesis of mono-azo dyes for nylon and polyester fibers. 3-Ethylanilinopropiononitrile can be used in the synthesis of Disperse Orange 37 (D493490). 3-(Ethylphenylamino)propanenitrile is a reagent used in the synthesis of mono-azo dyes for nylon and polyester fibers. Plastics. Used in the synthesis of Disperse Orange 37 (D493490).

Technology Process of N-(2-Cyanoethyl)-N-ethylaniline

There total 3 articles about N-(2-Cyanoethyl)-N-ethylaniline 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:

N-ethyl-N-phenylamine (103-69-5) + acrylonitrile (107-13-1,25014-41-9) → N-ethyl-N-(2-cyanoethyl)aniline (148-87-8)

Guidance literature:

DOI:10.1021/jo01361a023

Reference yield:

3-diethylaminopropionitrile (5351-04-2) + N-ethyl-N-phenylamine (103-69-5) → N-ethyl-N-(2-cyanoethyl)aniline (148-87-8)

Guidance literature:

Reference yield:

→ N-ethyl-N-(2-cyanoethyl)aniline (148-87-8)

Guidance literature:

upstream raw materials:

3-diethylaminopropionitrile

N-ethyl-N-phenylamine

acrylonitrile

Downstream raw materials:

N-ethyl-N-phenyl-β-aminopropionic acid

N-ethyl-N-phenyl-β-alanine amide

N-(3-aminopropyl)-N-ethylaniline

3-[N-ethyl-4-(4-nitrophenylazo)phenylamino]propionitrile

Refernces

• 1、 Salah, Abderrahmen B.,Offenstein, Caroline,Zargarian, Davit. "Hydroamination and alcoholysis of acrylonitrile promoted by the pincer complex {κP,κC,κP-2,6- (Ph2PO)2C6H3}Ni(OSO 2CF3)". experimental part. p. 5352 - 5364. Retrieved 2011/12/13.