2,5-Diphenylbenzene-1,4-dicarboxylic acid

Base Information

• Chemical Name: 2,5-Diphenylbenzene-1,4-dicarboxylic acid
• CAS No.: 13962-92-0
• Molecular Formula: C20H14O4
• Molecular Weight: 318.329
• Hs Code.: 2917399090
• DSSTox Substance ID: DTXSID10455966
• Nikkaji Number: J1.769.670J
• Wikidata: Q82278144
• Mol file: 13962-92-0.mol

Synonyms:13962-92-0;2,5-DIPHENYLBENZENE-1,4-DICARBOXYLIC ACID;2,5-diphenylterephthalic Acid;[1,1':4',1''-Terphenyl]-2',5'-dicarboxylic acid;SCHEMBL667582;p-terphenyl-2',5'-dicarboxylic;DTXSID10455966;XSLGXTDGDJULAR-UHFFFAOYSA-N;MFCD00628775;AKOS015840530;BS-21392;CS-0207973;[1,1':4',1''-Terphenyl]-2',5'-dicarboxylicacid

Chemical Property of 2,5-Diphenylbenzene-1,4-dicarboxylic acid

Chemical Property:

• Melting Point: 291 °C
• Boiling Point: 528.5±50.0 °C(Predicted)
• PKA: 2.69±0.10(Predicted)
• PSA: 74.60000
• Density: 1.298±0.06 g/cm3(Predicted)
• LogP: 4.41700
• Storage Temp.: 2-8°C
• 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: 407

Purity/Quality:

98%min ^*data from raw suppliers

2,5-Diphenylbenzene-1,4-dicarboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=C(C=C2C(=O)O)C3=CC=CC=C3)C(=O)O

Technology Process of 2,5-Diphenylbenzene-1,4-dicarboxylic acid

There total 15 articles about 2,5-Diphenylbenzene-1,4-dicarboxylic 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%

2',5'-dimethyl-[1,1':4',1'']terphenyl (20260-22-4) → 5'-carboxymethyl-[1,1':4',1'']terphenyl-2'-carboxylic acid (13962-92-0)

Guidance literature:

With potassium permanganate; In pyridine; water; Heating;

DOI:10.1021/ol025972l

Reference yield: 95.0%

dimethyl 2,5-diphenylterephthalate (16308-63-7) → 5'-carboxymethyl-[1,1':4',1'']terphenyl-2'-carboxylic acid (13962-92-0)

Guidance literature:

With potassium hydroxide; In ethanol;

DOI:10.1039/c7ra09401a

Reference yield: 57.0%

→ 5'-carboxymethyl-[1,1':4',1'']terphenyl-2'-carboxylic acid (13962-92-0)

Guidance literature:

upstream raw materials:

2',5'-dimethyl-[1,1':4',1'']terphenyl

[1,1':4',1]-terphenyl-2',5'-dicarbaldehyde

2,5-dibromo-p-xylene

phenylboronic acid

Downstream raw materials:

N,N'-diphenyl-p-terphenyl-2',5'-dicarboxamide

6,12-dihydroindeno[1,2-b]fluorene

2,8-dibromo-6,12-dihydro-indeno[1,2-b]fluorene