2-(4-Aminophenyl)acetaldehyde

Base Information

• Chemical Name: 2-(4-Aminophenyl)acetaldehyde
• CAS No.: 204838-36-8
• Molecular Formula: C₈H₉NO
• Molecular Weight: 135.166
• DSSTox Substance ID: DTXSID40607173
• Nikkaji Number: J944.882I
• Wikidata: Q82506136
• Mol file: 204838-36-8.mol

Synonyms:4-aminophenylacetaldehyde

Chemical Property of 2-(4-Aminophenyl)acetaldehyde

Chemical Property:

• Boiling Point: 281.0±15.0 °C(Predicted)
• PKA: 4.67±0.10(Predicted)
• PSA: 43.09000
• Density: 1.109±0.06 g/cm3(Predicted)
• LogP: 1.59140
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 135.068413911
• Heavy Atom Count: 10
• Complexity: 106

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Aminophenyl)acetaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC=O)N

Technology Process of 2-(4-Aminophenyl)acetaldehyde

There total 2 articles about 2-(4-Aminophenyl)acetaldehyde 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: 89.6%

2-(4'-aminophenyl)ethyl alcohol (104-10-9) → (4-aminophenyl)acetaldehyde (204838-36-8)

Guidance literature:

With oxygen; La_0.25CoO(x); In acetonitrile; at 120 ℃; under 7500.75 Torr; Autoclave;

DOI:10.1016/j.apcata.2022.118537

Reference yield:

→ (4-aminophenyl)acetaldehyde (204838-36-8)

Guidance literature:

Reference yield:

(4-aminophenyl)acetaldehyde (204838-36-8) → benzyl 2-(4-aminophenyl)-1-(diphenoxyphosphoryl)ethylcarbamate 2,2,2-trifluoroacetate

Guidance literature:

Multi-step reaction with 2 steps

1: copper(II) bis(trifluoromethanesulfonate) / dichloromethane / 20 °C

2: copper(II) bis(trifluoromethanesulfonate) / dichloromethane / 20 °C

With copper(II) bis(trifluoromethanesulfonate); In dichloromethane;

DOI:10.1039/c5md00288e

upstream raw materials:

2-(4'-aminophenyl)ethyl alcohol

Downstream raw materials:

diphenyl 1-(benzyloxycarbonylamino)-2-{4-[N,N'-bis(tert-butyloxycarbonyl)guanidino]phenyl}ethanephosphonate