6-Fluoro-2-phenylbenzoic acid

Base Information

• Chemical Name: 6-Fluoro-2-phenylbenzoic acid
• CAS No.: 1841-56-1
• Molecular Formula: C₁₃H₉FO₂
• Molecular Weight: 216.212
• DSSTox Substance ID: DTXSID70597492
• Wikidata: Q82493045
• Mol file: 1841-56-1.mol

Synonyms:1841-56-1;6-FLUORO-2-PHENYLBENZOIC ACID;3-Fluoro-[1,1'-biphenyl]-2-carboxylic acid;2-fluoro-6-phenylbenzoic acid;3-fluorobiphenyl-2-carboxylic acid;3-Fluoro-[1,1'-biphenyl]-2-carboxylicacid;SCHEMBL1927711;DTXSID70597492;MTGFHEPJUPTKGV-UHFFFAOYSA-N;BAA84156;3-Fluoro-biphenyl-2-carboxylic acid;MFCD14701904;AKOS015888624;BS-25054;DB-294288;3-Fluoro[1,1'-biphenyl]-2-carboxylic acid

Chemical Property of 6-Fluoro-2-phenylbenzoic acid

Chemical Property:

• Melting Point: 115-117 °C
• Boiling Point: 337.9±22.0 °C(Predicted)
• PKA: 2.53±0.10(Predicted)
• Density: 1.261±0.06 g/cm3(Predicted)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 216.05865769
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-Fluoro-2-phenylbenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 6-Fluoro-2-phenylbenzoic acid

There total 8 articles about 6-Fluoro-2-phenylbenzoic 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: 71.0%

bromobenzene (108-86-1,52753-63-6) + o-fluoro-benzoic acid (445-29-4) → 3-fluorobiphenyl (2367-22-8) + 3-fluoro-[1,1'-biphenyl]-2-carboxylic acid (1841-56-1)

Guidance literature:

With copper(I) oxide; [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; triethylphosphonium tetrafluoroborate; potassium carbonate; In 1-methyl-pyrrolidin-2-one; at 190 ℃; for 18h; regioselective reaction; Inert atmosphere;

DOI:10.1002/anie.201607270

Reference yield:

2C6H5(1-)*Ti(4+)*4C2H5O(1-)*2Mg(2+)*2Cl(1-) + 2C7H4FO2(1-)*2Li(1+)*Ti(4+)*4C2H5O(1-) → 3-fluoro-[1,1'-biphenyl]-2-carboxylic acid (1841-56-1)

Guidance literature:

With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; oxygen; cobalt(II) chloride; In tetrahydrofuran; at 20 ℃; for 12.5h; Green chemistry;

DOI:10.1039/c5ob02496j

Reference yield:

methyl 3-fluorobiphenyl-2-carboxylate (1528793-42-1) → 3-fluoro-[1,1'-biphenyl]-2-carboxylic acid (1841-56-1)

Guidance literature:

With water; sodium hydroxide; In tetrahydrofuran; at 80 ℃;

DOI:10.1002/chem.201303511

upstream raw materials:

Methyl-3-amino-2-biphenylcarboxylat Hydrochlorid

methyl 3-fluorobiphenyl-2-carboxylate

methyl 2-fluoro-6-iodobenzoate

phenylboronic acid

Downstream raw materials:

C₂₄H₂₅FO₄Si

1-fluoro-9H-fluoren-9-one

3-fluoro-9-fluorenone

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