3-(Ethyl(4-formylphenyl)amino)propanenitrile

Base Information

• Chemical Name: 3-(Ethyl(4-formylphenyl)amino)propanenitrile
• CAS No.: 27914-15-4
• Molecular Formula: C12H14 N2 O
• Molecular Weight: 202.256
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID60388715
• Nikkaji Number: J71.064D
• Wikidata: Q72473905
• Mol file: 27914-15-4.mol

Synonyms:27914-15-4;3-(Ethyl(4-formylphenyl)amino)propanenitrile;4-(N-Ethyl-2-cyanoethylamino)benzaldehyde;3-(N-ethyl-4-formylanilino)propanenitrile;3-[ETHYL(4-FORMYLPHENYL)AMINO]PROPANENITRILE;N-ethyl-N-cyanoethyl-4-amino benzaldehyde;SCHEMBL8722764;NIOSH/UG2370000;DTXSID60388715;AKOS010079079;N-Ethyl-N-cyanoethyl-p-aminobenzaldehyde;N-Etylo-N-cyjanoetylo-p-aminobenzaldehyd;3-(p-Formyl-N-ethylanilino)propionitrile;LS-124932;3-[Ethyl(p-formylphenyl)amino]propanenitrile;FT-0691934;Propionitrile, 3-(p-formyl-N-ethylanilino)-;UG23700000;A819241;N-Etylo-N-cyjanoetylo-p-aminobenzaldehyd [Polish];J-513794

Chemical Property of 3-(Ethyl(4-formylphenyl)amino)propanenitrile

Chemical Property:

• Vapor Pressure: 1.7E-06mmHg at 25°C
• Boiling Point: 396.5oC at 760 mmHg
• PKA: 1.94±0.50(Predicted)
• Flash Point: 193.6oC
• PSA: 44.10000
• Density: 1.111g/cm3
• LogP: 2.23908
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 202.110613074
• Heavy Atom Count: 15
• Complexity: 235

Purity/Quality:

97% ^*data from raw suppliers

3-(Ethyl(4-formylphenyl)amino)propanenitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CCC#N)C1=CC=C(C=C1)C=O

Technology Process of 3-(Ethyl(4-formylphenyl)amino)propanenitrile

There total 2 articles about 3-(Ethyl(4-formylphenyl)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:

N-methyl-N-phenylformamide (93-61-8) + N-ethyl-N-(2-cyanoethyl)aniline (148-87-8) → N-ethyl-N-cyanoethyl-4-aminobenzaldehyde (27914-15-4)

Guidance literature:

With trichlorophosphate;

Reference yield:

N,N-dimethyl-formamide (68-12-2,33513-42-7) + N-ethyl-N-(2-cyanoethyl)aniline (148-87-8) → N-ethyl-N-cyanoethyl-4-aminobenzaldehyde (27914-15-4)

Guidance literature:

With trichlorophosphate;

DOI:10.1039/b300083b

Reference yield: 96.0%

N-ethyl-N-cyanoethyl-4-aminobenzaldehyde (27914-15-4) → C12H14NO3(1-)*Na(1+)

Guidance literature:

With sodium hydroxide; In water; at 100 ℃; for 4h;

upstream raw materials:

N-methyl-N-phenylformamide

N-ethyl-N-(2-cyanoethyl)aniline

N,N-dimethyl-formamide

Downstream raw materials:

C₃₀H₂₆N₃O⁽¹⁺⁾*CH₃O₄S^(1-)

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