3-(Ethyl(4-formyl-3-methylphenyl)amino)propanenitrile

Base Information

• Chemical Name: 3-(Ethyl(4-formyl-3-methylphenyl)amino)propanenitrile
• CAS No.: 119-97-1
• Molecular Formula: C13H16N2O
• Molecular Weight: 216.283
• Hs Code.: 2926909090
• European Community (EC) Number: 204-362-2
• DSSTox Substance ID: DTXSID3059503
• Nikkaji Number: J31.192H
• Wikidata: Q72490612
• Mol file: 119-97-1.mol

Synonyms:119-97-1;3-(ethyl(4-formyl-3-methylphenyl)amino)propanenitrile;2-Methyl-N-ethyl-N-(2-cyanoethyl)-4-aminobenzaldehyde;3-(N-ethyl-4-formyl-3-methylanilino)propanenitrile;Propanenitrile, 3-[ethyl(4-formyl-3-methylphenyl)amino]-;C13H16N2O;EINECS 204-362-2;3-[ethyl(4-formyl-3-methylphenyl)amino]propanenitrile;2-methyl-4-[n-ethyl-n-(2-cyanoethyl)]aminobezaldehyde;3-[ethyl(4-formyl-3-methylphenyl)amino]propiononitrile;Propanenitrile, 3-(ethyl(4-formyl-3-methylphenyl)amino)-;3-(Ethyl(4-formyl-3-methylphenyl)amino)propiononitrile;SCHEMBL4379763;DTXSID3059503;AKOS000120786;CS-0236724;FT-0631685;EN300-17245;A804403;SR-01000041094;SR-01000041094-1;W-108490;Z56899176;3-[N-Ethyl-(4-formyl-3-methylphenyl)amino]propiononitrile;2-Methyl-N-ethyl-N-(2-cyanoethyl)-4-aminobenzaldehyde, 98%

Chemical Property of 3-(Ethyl(4-formyl-3-methylphenyl)amino)propanenitrile

Chemical Property:

• Vapor Pressure: 3.38E-07mmHg at 25°C
• Melting Point: 64-67 °C(lit.)
• Refractive Index: 1.579
• Boiling Point: 418 °C at 760 mmHg
• PKA: 2.09±0.50(Predicted)
• Flash Point: 206.6 °C
• PSA: 44.10000
• Density: 1.09 g/cm³
• LogP: 2.54748
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 216.126263138
• Heavy Atom Count: 16
• Complexity: 268

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-N-ethyl-N-(2-cyanoethyl)-4-aminobenzaldehyde 98% ^*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: CCN(CCC#N)C1=CC(=C(C=C1)C=O)C
• Uses: 2-Methyl-N-ethyl-N-(2-cyanoethyl)-4-aminobenzaldehyde may be used to synthesize 2,6-bis[2-methyl-4(N-ethyl-N-ethylacetonitrile)aniline]cyclohexanone and (1E,4E)-1,5-bis[2-methyl-4(N-ethyl-Nethylacetonitrile)aniline]-1,4-pentadiene-3-one.

Technology Process of 3-(Ethyl(4-formyl-3-methylphenyl)amino)propanenitrile

There total 1 articles about 3-(Ethyl(4-formyl-3-methylphenyl)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:

→ 2-methyl-N-ethyl-N-(2-cyanoethyl)-4-aminobenzaldehyde (119-97-1)

Guidance literature:

m-Me-C6H4N(CH2CH2CN)Et, DMF, Δ;

Reference yield: 64.0%

2-methyl-N-ethyl-N-(2-cyanoethyl)-4-aminobenzaldehyde (119-97-1) + acetone (67-64-1) → (1E,4E)-1,5-bis[2-methyl-4-(N-ethyl-N-ethylacetonitrile)aniline]-1,4-pentadiene-3-one

Guidance literature:

With sodium hydroxide; In ethanol; at 27 ℃;

DOI:10.1111/cbdd.12280

Reference yield: 52.0%

2-methyl-N-ethyl-N-(2-cyanoethyl)-4-aminobenzaldehyde (119-97-1) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → C32H38N4O (1610593-61-7)

Guidance literature:

With sodium hydroxide; In ethanol; at 27 ℃;

DOI:10.1111/cbdd.12280

Downstream raw materials:

C₃₂H₃₈N₄O