3-(4-Acetylphenyl)propanal

Base Information

• Chemical Name: 3-(4-Acetylphenyl)propanal
• CAS No.: 150805-64-4
• Molecular Formula: C11H14NO3P
• Molecular Weight: 176.215
• DSSTox Substance ID: DTXSID70452517
• Nikkaji Number: J954.601D
• Wikidata: Q82273203
• Mol file: 150805-64-4.mol

Synonyms:3-(4-acetylphenyl)propanal;150805-64-4;Benzenepropanal, 4-acetyl-;Benzenepropanal,4-acetyl-;SCHEMBL9909452;DTXSID70452517;AKOS006230733;FT-0714717

Chemical Property of 3-(4-Acetylphenyl)propanal

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Boiling Point: 299.859°C at 760 mmHg
• Flash Point: 111.977°C
• PSA: 34.14000
• Density: 1.051g/cm³
• LogP: 2.02070
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

3-(4-ACETYL-PHENYL)PROPIONALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(4-Acetylphenyl)propanal

There total 13 articles about 3-(4-Acetylphenyl)propanal 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: 90.0%

(E)-3-(4-acetylphenyl)acrylaldehyde (127921-76-0) → 4'-(3-oxopropyl)acetophenone (150805-64-4)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; dibenzylammonium trifluoroacetate salt; In tetrahydrofuran; at 20 ℃; for 5h;

DOI:10.1002/anie.200461816

Reference yield: 90.0%

→ 4'-(3-oxopropyl)acetophenone (150805-64-4)

Guidance literature:

Reference yield: 89.0%

allyl alcohol (107-18-6) + 4-acetylphenylboronic acid (149104-90-5) → 4'-(3-oxopropyl)acetophenone (150805-64-4)

Guidance literature:

With 2.9-dimethyl-1,10-phenanthroline; palladium diacetate; copper(l) chloride; In dimethyl sulfoxide; at 50 ℃; for 12h; under 760.051 Torr;

DOI:10.1039/c3gc42504e

upstream raw materials:

1-(4-vinylphenyl)ethanone

carbon monoxide

3-chloro-1,1-diethoxy-propane

para-bromoacetophenone

Downstream raw materials:

3-(4-acetylphenyl)-2-propenal

3-(4-acetylphenyl)-1-(4-methoxyphenyl)propan-1-one

(E)-3-(4-acetylphenyl)acrylaldehyde