4,4'-Dihydroxybiphenyl-3,3'-dicarboxylic acid

Base Information

• Chemical Name: 4,4'-Dihydroxybiphenyl-3,3'-dicarboxylic acid
• CAS No.: 13987-45-6
• Molecular Formula: C₁₄H₁₀O₆
• Molecular Weight: 274.23
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID80448946
• Nikkaji Number: J81.701E
• Wikidata: Q82268172
• Mol file: 13987-45-6.mol

Synonyms:13987-45-6;5-(3-Carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid;4,4'-Dihydroxybiphenyl-3,3'-dicarboxylic acid;4,4'-Dihydroxy-[1,1'-biphenyl]-3,3'-dicarboxylic acid;4,4'-dihydroxy-(1,1'-biphenyl)-3,3'-dicarboxylic acid;YSWG136;SCHEMBL2771723;DTXSID80448946;UISWLBIMLGAHMF-UHFFFAOYSA-N;MFCD24448851;BS-26613;CS-0110877;FT-0696763;4,4'-dihydroxy-3,3'-biphenyldicarboxylic acid;4,4'-dihydroxybiphenyl 3,3'-dicarboxylic acid;D82855;4,4/'-Dihydroxybiphenyl-3,3/'-dicarboxylic acid;4,4'-Dihydroxy-[1,1'-biphenyl]-3,3'-dicarboxylicacid;3, 3'-difluoro-[1,1'-biphenyl ]-4,4'-dicarboxylic acid;3, 3'-difluoro- [1, 1'-biphenyl ]-4, 4'-dicarboxylic acid

Chemical Property of 4,4'-Dihydroxybiphenyl-3,3'-dicarboxylic acid

Chemical Property:

• Boiling Point: 547.1±50.0 °C(Predicted)
• PKA: 2.72±0.10(Predicted)
• PSA: 115.06000
• Density: 1.552±0.06 g/cm3(Predicted)
• LogP: 2.16120
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 274.04773803
• Heavy Atom Count: 20
• Complexity: 346

Purity/Quality:

99%, ^*data from raw suppliers

5-(3-Carboxy-4-hydroxyphenyl)-2-hydroxybenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O

Technology Process of 4,4'-Dihydroxybiphenyl-3,3'-dicarboxylic acid

There total 13 articles about 4,4'-Dihydroxybiphenyl-3,3'-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: 95.0%

4,4'-Dihydroxybiphenyl (92-88-6) + potassium carbonate (584-08-7) → 4,4’-dihydroxy-(1,1’-biphenyl)-3,3’-dicarboxylic acid (13987-45-6)

Guidance literature:

In N,N-dimethyl-formamide; at 200 ℃; for 70h; Concentration; Temperature; Time; Solvent;

Reference yield: 40.0%

4,4'-Dihydroxybiphenyl (92-88-6) + potassium hydrogencarbonate (298-14-6) → 4,4’-dihydroxy-(1,1’-biphenyl)-3,3’-dicarboxylic acid (13987-45-6)

Guidance literature:

In 1,2,4-Trichlorobenzene; at 255 ℃; for 17h; Cooling with ice;

DOI:10.1021/ja300034j

Reference yield: 10.0%

carbon dioxide (124-38-9,18923-20-1) + 4,4'-Dihydroxybiphenyl (92-88-6) → 4,4’-dihydroxy-(1,1’-biphenyl)-3,3’-dicarboxylic acid (13987-45-6)

Guidance literature:

With potassium hydrogencarbonate; at 250 ℃; for 72h; Reagent/catalyst; Temperature;

upstream raw materials:

tetrachloromethane

4,4'-Dihydroxybiphenyl

3,3'-dicarboxy-4,4'-diaminobiphenyl

ethanol