4-[Methyl(propyl)amino]benzaldehyde

Base Information

• Chemical Name: 4-[Methyl(propyl)amino]benzaldehyde
• CAS No.: 1078-18-8
• Molecular Formula: C₁₁H₁₅NO
• Molecular Weight: 177.246
• DSSTox Substance ID: DTXSID501298758
• Nikkaji Number: J674.748E
• Mol file: 1078-18-8.mol

Synonyms:4-[methyl(propyl)amino]benzaldehyde;1078-18-8;4-(Methyl(propyl)amino)benzaldehyde;starbld0044512;SCHEMBL12201383;4-(Methylpropylamino)benzaldehyde;4-(Propylmethylamino)benzaldehyde;DTXSID501298758;MFCD11627332;AKOS004911023;CS-0450370;A904007

Chemical Property of 4-[Methyl(propyl)amino]benzaldehyde

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 177.115364102
• Heavy Atom Count: 13
• Complexity: 150

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCN(C)C1=CC=C(C=C1)C=O

Technology Process of 4-[Methyl(propyl)amino]benzaldehyde

There total 5 articles about 4-[Methyl(propyl)amino]benzaldehyde 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:

4-fluorobenzaldehyde (459-57-4) → 4-(N-methyl-N-propylamino)benzaldehyde (1078-18-8)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrabutylammomium bromide; potassium carbonate / dimethyl sulfoxide / 20 h / 90 °C

2: formic acid / 3 h / Reflux

With formic acid; tetrabutylammomium bromide; potassium carbonate; In dimethyl sulfoxide;

DOI:10.1021/jm300978h

Reference yield:

hexamethylenetetramine (100-97-0) + N-methyl-N-n-propylaniline (13395-54-5) → 4-(N-methyl-N-propylamino)benzaldehyde (1078-18-8)

Guidance literature:

With acetic acid; at 100 ℃; for 2h;

DOI:10.1016/0006-2952(95)00138-P

Reference yield:

N-propylaniline (622-80-0) → 4-(N-methyl-N-propylamino)benzaldehyde (1078-18-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 30 h / Heating

2: AcOH / 2 h / 100 °C

With acetic acid;

DOI:10.1016/0006-2952(95)00138-P

upstream raw materials:

hexamethylenetetramine

N-methyl-N-n-propylaniline

N-propylaniline

4-fluorobenzaldehyde

Downstream raw materials:

6-hydroxy-5-methoxy-2-(4-(methyl(propyl)amino)-benzylidene)-2,3-dihydro-1H-inden-1-one hydrochloride

5,6-dihydroxy-2-(4-(methyl(propyl)amino)benzylidene)-2,3-dihydro-1H-inden-1-one 4-methylbenzene-1-sulfonic acid