2-(3-acetylphenyl)benzoic Acid

Base Information

• Chemical Name: 2-(3-acetylphenyl)benzoic Acid
• CAS No.: 408367-33-9
• Molecular Formula: C₁₅H₁₂O₃
• Molecular Weight: 240.258
• Hs Code.: 2918300090
• European Community (EC) Number: 673-765-7
• DSSTox Substance ID: DTXSID70373319
• Wikidata: Q82161470
• Mol file: 408367-33-9.mol

Synonyms:408367-33-9;2-(3-acetylphenyl)benzoic Acid;3'-Acetyl-[1,1'-biphenyl]-2-carboxylic acid;2-biphenyl-3'-acetyl-carboxylic acid;3'-Acetyl-biphenyl-2-carboxylic acid;3'-Acetyl-[1,1'-biphenyl]-2-carboxylicacid;SCHEMBL6792767;DTXSID70373319;MFCD03839957;AKOS022184795;FS-5350;CS-0171640

Chemical Property of 2-(3-acetylphenyl)benzoic Acid

Chemical Property:

• Boiling Point: 425.1oC at 760 mmHg
• Flash Point: 225oC
• PSA: 54.37000
• Density: 1.208g/cm3
• LogP: 3.25440
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 240.078644241
• Heavy Atom Count: 18
• Complexity: 324

Purity/Quality:

97% ^*data from raw suppliers

2-(3-Acetylphenyl)benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=CC(=C1)C2=CC=CC=C2C(=O)O

Technology Process of 2-(3-acetylphenyl)benzoic Acid

There total 3 articles about 2-(3-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:

o-iodo-methyl-benzoic acid (610-97-9) → 3'-acetyl-1,1'-biphenyl-2-carboxylic acid (408367-33-9)

Guidance literature:

Multi-step reaction with 2 steps

1: bis-triphenylphosphine-palladium(II) chloride; sodium carbonate / tetrahydrofuran; water / 12 h / 80 °C / Inert atmosphere

2: sodium hydroxide; water / methanol / 12 h / Heating

With bis-triphenylphosphine-palladium(II) chloride; water; sodium carbonate; sodium hydroxide; In tetrahydrofuran; methanol; water;

DOI:10.1039/c9ob02676b

Reference yield:

3-acetylphenylboronic acid → 3'-acetyl-1,1'-biphenyl-2-carboxylic acid (408367-33-9)

Guidance literature:

Multi-step reaction with 2 steps

1: bis-triphenylphosphine-palladium(II) chloride; sodium carbonate / tetrahydrofuran; water / 12 h / 80 °C / Inert atmosphere

2: sodium hydroxide; water / methanol / 12 h / Heating

With bis-triphenylphosphine-palladium(II) chloride; water; sodium carbonate; sodium hydroxide; In tetrahydrofuran; methanol; water;

DOI:10.1039/c9ob02676b

Reference yield:

C16H14O3 → 3'-acetyl-1,1'-biphenyl-2-carboxylic acid (408367-33-9)

Guidance literature:

With water; sodium hydroxide; In methanol; for 12h; Heating;

DOI:10.1039/c9ob02676b

upstream raw materials:

o-iodo-methyl-benzoic acid

Downstream raw materials:

tert-Butyl 4-{[(3'-acetyl-1,1'-biphenyl-2-yl)carbonyl]amino}phenyl[2-(2-pyridinyl)ethyl]carbamate

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