3-(4-Acetylphenyl)benzaldehyde

Base Information

• Chemical Name: 3-(4-Acetylphenyl)benzaldehyde
• CAS No.: 400747-38-8
• Molecular Formula: C₁₅H₁₂O₂
• Molecular Weight: 224.259
• DSSTox Substance ID: DTXSID60402925
• Nikkaji Number: J3.305.502A
• Wikidata: Q82206449
• Mol file: 400747-38-8.mol

Synonyms:400747-38-8;4'-Acetyl-[1,1'-biphenyl]-3-carbaldehyde;4'-acetyl[1,1'-biphenyl]-3-carbaldehyde;4'-Acetyl-[1,1'-biphenyl]-3-carboxaldehyde;3-(4-acetylphenyl)benzaldehyde;SCHEMBL15714459;4'-Acetylbiphenyl-3-carbaldehyde;DTXSID60402925;4'-Acetyl-biphenyl-3-carbaldehyde;MFCD04039043;AKOS004113719;BB 0222547

Chemical Property of 3-(4-Acetylphenyl)benzaldehyde

Chemical Property:

• PSA: 34.14000
• LogP: 3.36870
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 224.083729621
• Heavy Atom Count: 17
• Complexity: 277

Purity/Quality:

99% ^*data from raw suppliers

4'-Acetyl-[1,1'-biphenyl]-3-carbaldehyde 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)C2=CC=CC(=C2)C=O

Technology Process of 3-(4-Acetylphenyl)benzaldehyde

There total 3 articles about 3-(4-Acetylphenyl)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: 99.0%

2-formylphenylboronic acid N-methyliminodiacetic acid ester + para-bromoacetophenone (99-90-1) → 4'-acetyl-[1,1'-biphenyl]-3-carbaldehyde (400747-38-8)

Guidance literature:

With dichloro[1,1′-bis[bis(1,1-dimethylethyl)phosphino]ferrocene-P,P′]palladium; TPGS-750-M; triethylamine; In water; at 20 ℃; Inert atmosphere;

DOI:10.1021/ja409663q

Reference yield: 69.0%

3-Formylphenylboronic acid (87199-16-4) + para-bromoacetophenone (99-90-1) → 4'-acetyl-[1,1'-biphenyl]-3-carbaldehyde (400747-38-8)

Guidance literature:

With potassium carbonate; In water; at 80 ℃; for 10h; Green chemistry;

DOI:10.1039/c6ra11736h

Reference yield:

4-Iodoacetophenone (13329-40-3) + 3-Formylphenylboronic acid (87199-16-4) → 4'-acetyl-[1,1'-biphenyl]-3-carbaldehyde (400747-38-8)

Guidance literature:

With palladium diacetate; potassium carbonate; In water; isopropyl alcohol; at 20 ℃;

DOI:10.1021/jacs.6b11188

upstream raw materials:

para-bromoacetophenone

3-Formylphenylboronic acid

4-Iodoacetophenone