4-(4-acetylphenyl)benzoic Acid

Base Information

• Chemical Name: 4-(4-acetylphenyl)benzoic Acid
• CAS No.: 114691-92-8
• Molecular Formula: C15H12O3
• Molecular Weight: 240.25
• Hs Code.: 2918300090
• European Community (EC) Number: 682-999-9
• DSSTox Substance ID: DTXSID20400765
• Nikkaji Number: J1.782.815K
• Wikidata: Q72434849
• Mol file: 114691-92-8.mol

Synonyms:114691-92-8;4-(4-acetylphenyl)benzoic Acid;4'-acetyl-[1,1'-biphenyl]-4-carboxylic acid;4'-acetyl-4-biphenylcarboxylic acid;4'-acetylbiphenyl-4-carboxylic acid;4'-acetyl[1,1'-biphenyl]-4-carboxylic acid;4'-Acetyl-biphenyl-4-carboxylic acid;[1,1'-Biphenyl]-4-carboxylic acid, 4'-acetyl-;SCHEMBL1169167;DTXSID20400765;PDBQNVDCQVGALU-UHFFFAOYSA-N;MFCD00230828;AKOS004114129;Calcium4-methyl-2-oxovaleratedihydrate;PS-5894;BB 0222544;CS-0155096;FT-0763822;4'-acetyl-[1,1'-biphenyl]-4-carboxylicacid;4;-Acetyl[1,1;-biphenyl]-4-carboxylic acid;[1,1'-Biphenyl]-4-carboxylicacid,4'-acetyl-;4/'-ACETYL-BIPHENYL-4-CARBOXYLIC ACID;D84231;A803215

Chemical Property of 4-(4-acetylphenyl)benzoic Acid

Chemical Property:

• Boiling Point: 429.7 °C at 760 mmHg
• Flash Point: 227.8 °C
• PSA: 54.37000
• Density: 1.208 g/cm³
• LogP: 3.25440
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 240.078644241
• Heavy Atom Count: 18
• Complexity: 308

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Acetylphenyl)benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(4-acetylphenyl)benzoic Acid

There total 9 articles about 4-(4-acetylphenyl)benzoic Acid 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: 91.0%

4-carboxyphenylboronic acid (14047-29-1) + para-bromoacetophenone (99-90-1) → 4-acetyl-4'-biphenylcarboxylic acid (114691-92-8)

Guidance literature:

With Na₂[Pd(BuHSS)]; caesium carbonate; In water; at 80 ℃; for 2h; Sealed tube; Green chemistry;

DOI:10.1021/acs.joc.8b02340

Reference yield: 76.0%

4-carboxyphenylboronic acid (14047-29-1) + para-chloroacetophenone (99-91-2) → 4-acetyl-4'-biphenylcarboxylic acid (114691-92-8)

Guidance literature:

With C₁₅H₂₂Br₂N₃O₃PdS^(1-)*Na⁽¹⁺⁾; tetrabutylammomium bromide; potassium carbonate; In water; at 60 ℃; for 6h; Inert atmosphere;

DOI:10.1002/aoc.5499

Reference yield: 29.0%

2-(4'-acetylbiphenyl-4-yl)-5-phenyl-1,3,4-oxadiazole (128860-87-7) → 4-acetyl-4'-biphenylcarboxylic acid (114691-92-8)

Guidance literature:

With hydrogen iodide; In acetic acid; for 15h; Heating;

upstream raw materials:

carbon dioxide

anhydrous 2-(4'-bromo[1,1'-biphenyl]-4-yl)-2-methyl-1,3-dioxolane

2-(4'-acetylbiphenyl-4-yl)-5-phenyl-1,3,4-oxadiazole

4-carboxyphenylboronic acid

Downstream raw materials:

N-(cyclohexyl)-4-acetyl-4'-biphenylcarboxylic acid amide

1-[4'-((2R,3R)-2-Isopropyl-3-methyl-aziridine-1-carbonyl)-biphenyl-4-yl]-ethanone

1-[4'-((2R,3S)-2-Isopropyl-3-methyl-aziridine-1-carbonyl)-biphenyl-4-yl]-ethanone