3-(N-Phenyl-N-methyl)aminoacrolein

Base Information

• Chemical Name: 3-(N-Phenyl-N-methyl)aminoacrolein
• CAS No.: 14189-82-3
• Molecular Formula: C10H11NO
• Molecular Weight: 161.203
• Hs Code.: 2922390090
• European Community (EC) Number: 604-260-1,609-039-3
• DSSTox Substance ID: DTXSID301287034
• Nikkaji Number: J477.166D,J3.316.084D
• Mol file: 14189-82-3.mol

Synonyms:N-Methyl-N-phenyl-3-aminoacrolein;Acrolein,3-(N-methylanilino)- (6CI,7CI,8CI);3-(N-Methyl-N-phenylamino)acrolein;3-(N-Methylanilino)acrolein;

Chemical Property of 3-(N-Phenyl-N-methyl)aminoacrolein

Chemical Property:

• Melting Point: 166 °C (decomp)
• Refractive Index: 1.575
• Boiling Point: 255.6 °C at 760 mmHg
• PKA: 1.07±0.70(Predicted)
• Flash Point: 92.1 °C
• PSA: 20.31000
• Density: 1.064 g/cm³
• LogP: 1.83540
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Very Slightly)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 161.084063974
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

3-(N-Phenyl-N-methyl)aminoacrolein ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C=CC=O)C1=CC=CC=C1
• Isomeric SMILES: CN(/C=C/C=O)C1=CC=CC=C1

Technology Process of 3-(N-Phenyl-N-methyl)aminoacrolein

There total 8 articles about 3-(N-Phenyl-N-methyl)aminoacrolein 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: 99.6%

malonaldehydebis(dimethylacetal) (102-52-3) + N-methylaniline (100-61-8) → 3-(N-Methylanilino)-2-propenal (14189-82-3)

Guidance literature:

malonaldehydebis(dimethylacetal); N-methylaniline; at 30 ℃; for 0.166667h;

With hydrogenchloride; In water; at 24 ℃; for 2.5h; Temperature;

Reference yield: 94.0%

-butyl vinyl ether (111-34-2,92680-80-3) + N-methyl-N-phenylformamide (93-61-8) → 3-(N-Methylanilino)-2-propenal (14189-82-3)

Guidance literature:

-butyl vinyl ether; N-methyl-N-phenylformamide; With oxalyl dichloride; In acetonitrile; at -10 - 20 ℃; for 2h; Inert atmosphere;

With water; sodium carbonate; In toluene; acetonitrile; at 0 - 22 ℃; for 1h; Inert atmosphere;

DOI:10.1021/jo101542y

Reference yield: 88.0%

acrolein (107-02-8,25068-14-8) + N-methylaniline (100-61-8) → 3-(N-Methylanilino)-2-propenal (14189-82-3)

Guidance literature:

With gold nanoparticles supported on manganese-oxide-based octahedral molecular sieves; air; In tetrahydrofuran; water; at 50 ℃; for 8h; under 760.051 Torr;

DOI:10.1002/anie.201308260

upstream raw materials:

propargyl alcohol

N-methylaniline

Propargylic aldehyde

malondialdehyde bis(diethyl acetal)

Downstream raw materials:

7-(N-methyl-anilino)-hepta-2,4,6-trienal

(E)-2-Nonenal

(E)-2-decenal

(E)-3-(2-naphthyl)-2-propenal