4-Biphenylcarboxylic acid

Base Information

• Chemical Name: 4-Biphenylcarboxylic acid
• CAS No.: 92-92-2
• Deprecated CAS: 92533-42-1
• Molecular Formula: C13H10O2
• Molecular Weight: 198.221
• Hs Code.: 29163900
• European Community (EC) Number: 202-203-1
• NSC Number: 23040
• UNII: 36J7VPO67K
• DSSTox Substance ID: DTXSID1059074
• Nikkaji Number: J39.593E
• Wikidata: Q27894061
• ChEMBL ID: CHEMBL107057
• Mol file: 92-92-2.mol

Synonyms:4-Biphenylcarboxylicacid (7CI,8CI);Benzoic acid, p-phenyl- (3CI);[1,1'-Biphenyl]-4-carboxylicacid;4-Carboxy-1,1'-biphenyl;4-Carboxybiphenyl;4-Diphenylcarboxylic acid;4-Phenylbenzoic acid;NSC 23040;p-Biphenylcarboxylic acid;p-Phenylbenzoicacid;4-Biphenylbenzoic acid;p-Phenylbenzoic Acid;

Chemical Property of 4-Biphenylcarboxylic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 3.28E-06mmHg at 25°C
• Melting Point: 220-225 °C(lit.)
• Refractive Index: 1.5954 (estimate)
• Boiling Point: 372.6 °C at 760 mmHg
• PKA: 4.19±0.10(Predicted)
• Flash Point: 170 °C
• PSA: 37.30000
• Density: 1.185 g/cm³
• LogP: 3.05180
• Storage Temp.: Room temperature.
• Solubility.: 0.03g/l
• Water Solubility.: Insoluble in water.
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 198.068079557
• Heavy Atom Count: 15
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

4-BiphenylcarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22-51-36-22
• Safety Statements: 37/39-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
• Uses: Biphenyl-4-carboxylic acid is employed in the synthesis, characterization of europium, terbium complexes.

Technology Process of 4-Biphenylcarboxylic acid

There total 298 articles about 4-Biphenylcarboxylic 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: 100.0%

para-bromoacetophenone (99-90-1) + phenylboronic acid (98-80-6) → biphenyl-4-acetaldehyde (92-91-1) + 4-Bromobenzoic acid (586-76-5) + biphenyl-4-carboxylic acid (92-92-2)

Guidance literature:

para-bromoacetophenone; phenylboronic acid; immobilized 4-bromobenzoic acid; With potassium carbonate; In water; N,N-dimethyl-formamide;

With potassium hydroxide; In ethanol; water;

DOI:10.1016/j.poly.2019.06.057

Reference yield: 99.5%

biphenyl-4-yl methanol (3597-91-9) → biphenyl-4-carboxylic acid (92-92-2)

Guidance literature:

With silica-supported Jones reagent; In dichloromethane; for 0.035h;

DOI:10.1016/j.tetlet.2006.05.157

Reference yield: 98.0%

C25H18N2O4 → naphthalen-1-ylacetonitrile (132-75-2) + biphenyl-4-carboxylic acid (92-92-2)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; Heating;

DOI:10.1016/0040-4039(96)01779-0

upstream raw materials:

pyridine

benzoic acid

dibenzoyl peroxide

(E)-3-phenylpropenal

Downstream raw materials:

methyl 4-phenylbenzoate

biphenyl-4-carboxylic acid-[3-(2-methyl-piperidino)-propylester]; hydrochloride

benzoic acid biphenyl-4-carboxylic acid-anhydride

ethyl 4-phenylbenzoate

Refernces

• 1、 Molnár, árpád. "Novelty in Complexity: Relationship between Small Peptides, Pd Nanoparticles, and Catalyst Characteristics". . p. 2025 - 2027. Retrieved 2015.
• 2、 Das, Trisha,Uyama, Hiroshi,Nandi, Mahasweta. "Pronounced effect of pore dimension of silica support on Pd-catalyzed Suzuki coupling reaction under ambient conditions". . p. 6416 - 6426. Retrieved 2018.
• 3、 Chen, Zhe,Liang, Yu,Jia, Da-Shuang,Cui, Zhi-Min,Song, Wei-Guo. "Simple synthesis of sub-nanometer Pd clusters: High catalytic activity of Pd/PEG-PNIPAM in Suzuki reaction". . p. 651 - 657. Retrieved 2017.
• 4、 Coppage, Ryan,Slocik, Joseph M.,Ramezani-Dakhel, Hadi,Bedford, Nicholas M.,Heinz, Hendrik,Naik, Rajesh R.,Knecht, Marc R.. "Exploiting localized surface binding effects to enhance the catalytic reactivity of peptide-capped nanoparticles". . p. 11048 - 11054. Retrieved 2013.
• 5、 Samiee, Sepideh,Shiralinia, Ahmadreza,Hoveizi, Elham,Gable, Robert W.. "A new family of oxime palladacycles mixed with unsymmetrical phosphorus ylides; synthesis, structural, cytotoxicity and catalytic activity studies". . . Retrieved 2019.
• 6、 Coppage, Ryan,Slocik, Joseph M.,Sethi, Manish,Pacardo, Dennis B.,Naik, Rajesh R.,Knecht, Marc R.. "Elucidation of peptide effects that control the activity of nanoparticles". . p. 3767 - 3770. Retrieved 2010.
• 7、 Hu, Deqing,Jiang, Xuefeng. "Stepwise benzylic oxygenation via uranyl-photocatalysis". supporting information. p. 124 - 129. Retrieved 2022/01/19.
• 8、 Benaissa, Idir,Gajda, Katarzyna,Vendier, Laure,Lugan, No?l,Kajetanowicz, Anna,Grela, Karol,Michelet, Véronique,César, Vincent,Bastin, Stéphanie. "An Anionic, Chelating C(sp3)/NHC ligand from the Combination of an N-heterobicyclic Carbene and Barbituric Heterocycle". . p. 3223 - 3234. Retrieved 2021/09/30.