2-Biphenylcarboxylic acid

Base Information

• Chemical Name: 2-Biphenylcarboxylic acid
• CAS No.: 947-84-2
• Molecular Formula: C13H10O2
• Molecular Weight: 198.221
• Hs Code.: 29163900
• European Community (EC) Number: 213-432-1
• NSC Number: 76051
• DSSTox Substance ID: DTXSID30870814
• Nikkaji Number: J134.392K
• Wikidata: Q72443647
• ChEMBL ID: CHEMBL3092388
• Mol file: 947-84-2.mol

Synonyms:B-2-CA;biphenyl-2-carboxylic acid

Chemical Property of 2-Biphenylcarboxylic acid

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 2.68E-05mmHg at 25°C
• Melting Point: 111-113 °C(lit.)
• Refractive Index: 1.5954 (estimate)
• Boiling Point: 199 °C at 10 mm Hg(lit.)
• PKA: 3.46(at 25℃)
• Flash Point: 343-344°C
• PSA: 37.30000
• Density: 1.185 g/cm³
• LogP: 3.05180
• Storage Temp.: Store below +30°C.
• Water Solubility.: insoluble
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 198.068079557
• Heavy Atom Count: 15
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

Biphenyl-2-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39-37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=CC=C2C(=O)O
• General Description: 2-Biphenylcarboxylic acid (also known as 2-phenylbenzoic acid) serves as a key substrate in Ru(II)–xantphos-catalyzed addition reactions with unactivated olefins, enabling efficient ester formation and subsequent alcohol synthesis. The catalytic system enhances reaction yields and reduces processing times compared to traditional methods, demonstrating versatility across various olefin substrates, including aliphatic and cyclic structures. Its recoverability in one-pot alcohol synthesis further highlights its utility in sustainable synthetic chemistry.

Technology Process of 2-Biphenylcarboxylic acid

There total 117 articles about 2-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: 99.2%

9-fluorenone (486-25-9,952573-42-1) → 2-Biphenylcarboxylic acid (947-84-2)

Guidance literature:

With potassium hydroxide; In toluene; at 105 - 124 ℃; for 1h; Temperature; Solvent;

Reference yield: 99.0%

phenylboronic acid (98-80-6) + 2-bromobenzoic-acid (88-65-3) → 2-Biphenylcarboxylic acid (947-84-2)

Guidance literature:

With trans-[PdBr2(1-n-butyl-3-(1-O-methyl-6-deoxy-α-D-glucopyrano-6-yl)imidazol-2-ylidene)2]; sodium methylate; In water; at 100 ℃; for 15h;

DOI:10.1021/om100751r

Reference yield: 97.0%

2-Iodobenzoic acid (88-67-5) + phenylboronic acid (98-80-6) → 2-Biphenylcarboxylic acid (947-84-2)

Guidance literature:

With potassium carbonate; In water; at 50 ℃; for 1h;

DOI:10.1007/s10562-017-2009-5

upstream raw materials:

9H-fluorene

9-fluorenone

phosphoric acid triphenyl ester

sodium salicylate

Downstream raw materials:

N-phenyl-[1,1′-biphenyl]-2-carboxamide

biphenyl-2-carboxylic acid methyl ester

2-phenylbenzoic acid ethyl ester

6H-benzo[c]chromen-6-one

Refernces

Addition reaction of 2-phenylbenzoic acid onto unactivated olefins catalyzed by Ru(II)-xantphos catalysis

10.1016/j.tetlet.2010.03.052

The research investigates the addition reaction of 2-phenylbenzoic acid onto unactivated olefins using Ru(II)–xantphos catalysis. The purpose is to develop an efficient and environmentally benign method for ester formation and subsequent alcohol preparation from olefins, which could serve as an alternative to existing methods like Brown’s hydroboration–oxidation. The study found that the use of Ru(II)–xantphos catalysis significantly increased the yield of ester products and shortened reaction times compared to other ligands. The catalytic system demonstrated broad substrate scope, successfully reacting with various unactivated olefins, including aliphatic and cyclic ones. Control experiments suggested that the Ru(II)–xantphos catalysis works differently from TfOH, likely activating the olefin substrate via a p–olefin complex. The research concluded by demonstrating a one-pot process for alcohol preparation from olefins using this catalytic system, with the starting carboxylic acid being recoverable.

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