4-[4-(4-carboxyphenyl)phenyl]benzoic Acid

Base Information

• Chemical Name: 4-[4-(4-carboxyphenyl)phenyl]benzoic Acid
• CAS No.: 13653-84-4
• Molecular Formula: C20H14 O4
• Molecular Weight: 318.329
• Hs Code.: 2917399090
• European Community (EC) Number: 624-930-7
• DSSTox Substance ID: DTXSID60391880
• Nikkaji Number: J780.962J
• Wikidata: Q81723418
• Mol file: 13653-84-4.mol

Synonyms:4-(2',4'-dimethoxyphenyl-Fmoc-aminomethyl)phenoxy resin;Rink amide resin

Chemical Property of 4-[4-(4-carboxyphenyl)phenyl]benzoic Acid

Chemical Property:

• Boiling Point: 589.4±43.0 °C(Predicted)
• PKA: 3.86±0.10(Predicted)
• PSA: 74.60000
• Density: 1.298±0.06 g/cm3(Predicted)
• LogP: 4.41700
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly, Sonicated)
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 318.08920892
• Heavy Atom Count: 24
• Complexity: 395

Purity/Quality:

97% ^*data from raw suppliers

[p-Terphenyl]-4,4''''-dicarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O
• Uses: [p-Terphenyl]-4,4''-dicarboxylic acid is used in the synthesis of substituted terphenyls.

Technology Process of 4-[4-(4-carboxyphenyl)phenyl]benzoic Acid

There total 12 articles about 4-[4-(4-carboxyphenyl)phenyl]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: 96.0%

4-Bromobenzoic acid (586-76-5) + 1,4-Phenyldiboronic acid (4612-26-4) → [1,1′:4′,1′′-terphenyl]-4,4′′-dicarboxylic acid (13653-84-4)

Guidance literature:

With [PdCl₂(2-pyridin-2-yl-benzo[b]thiophen-3-ol)]; tetrabutylammomium bromide; potassium carbonate; In water; N,N-dimethyl-formamide; at 90 ℃; for 10h; Reagent/catalyst; Temperature; Solvent; Catalytic behavior;

DOI:10.1002/ejic.201403003

Reference yield: 86.0%

dimethyl 1,1':4',1''-terphenyl-4,4''-dicarboxylate (15493-26-2) → [1,1′:4′,1′′-terphenyl]-4,4′′-dicarboxylic acid (13653-84-4)

Guidance literature:

dimethyl 1,1':4',1''-terphenyl-4,4''-dicarboxylate; With methanol; potassium hydroxide; In tetrahydrofuran; at 60 ℃; for 24h;

With trifluoroacetic acid; In tetrahydrofuran; at 20 ℃; for 1.5h;

Reference yield:

4,4''-Terphenyldicarbocylic acid dichloride (50349-66-1) → [1,1′:4′,1′′-terphenyl]-4,4′′-dicarboxylic acid (13653-84-4)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; at 50 ℃; for 16h;

DOI:10.1021/jacs.0c09015

upstream raw materials:

oxalyl dichloride

[1,1';4',1'']terphenyl

carbon dioxide

4-bromo-p-terphenyl