2-(2-furyl)benzoic Acid

Base Information

• Chemical Name: 2-(2-furyl)benzoic Acid
• CAS No.: 331942-47-3
• Molecular Formula: C11H8O3
• Molecular Weight: 188.183
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID30378209
• Wikidata: Q82167744
• Mol file: 331942-47-3.mol

Synonyms:2-(2-furyl)benzoic Acid;331942-47-3;2-(furan-2-yl)benzoic acid;2-fur-2-ylbenzoic acid;2-(Fur-2-yl)benzoic acid;2-Furan-2-yl-benzoic acid;SCHEMBL1673212;DTXSID30378209;BBL000119;MFCD03990477;STK035949;2-(2-furyl)benzoic acid, AldrichCPR;AKOS004119289;PS-5901;SB61583;NCGC00340425-01;BB 0222414;CS-0313018;FT-0644445;FT-0686377;AB01333304-02;5-CHLORO-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLICACID

Chemical Property of 2-(2-furyl)benzoic Acid

Chemical Property:

• Vapor Pressure: 0.00021mmHg at 25°C
• Melting Point: 87 °C
• Refractive Index: 1.581
• Boiling Point: 313.5 °C at 760 mmHg
• Flash Point: 143.4 °C
• PSA: 50.44000
• Density: 1.254 g/cm³
• LogP: 2.64480
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 188.047344113
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

98%Min ^*data from raw suppliers

2-(Fur-2-yl)benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C2=CC=CO2)C(=O)O

Technology Process of 2-(2-furyl)benzoic Acid

There total 5 articles about 2-(2-furyl)benzoic 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%

2-(2-furyl)benzoic acid methyl ester (39732-01-9) → 2-(furan-2-yl)benzoic acid (331942-47-3)

Guidance literature:

With potassium hydroxide; In ethanol; for 4h; Reflux;

DOI:10.1080/00304948.2018.1405334

Reference yield:

2-bromobenzoic acid methyl ester (610-94-6) → 2-(furan-2-yl)benzoic acid (331942-47-3)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium fluoride; 2-(di-tert-butylphosphino)biphenyl / palladium acetate / tetrahydrofuran / 24 h / 20 °C

2: NaOH / methanol; H₂O / 6 h / Heating

With potassium fluoride; sodium hydroxide; johnphos; palladium diacetate; In tetrahydrofuran; methanol; water; 1: Suzuki coupling;

DOI:10.1016/j.bmc.2006.02.028

Reference yield:

o-iodo-methyl-benzoic acid (610-97-9) → 2-(furan-2-yl)benzoic acid (331942-47-3)

Guidance literature:

Multi-step reaction with 2 steps

1: bis-triphenylphosphine-palladium(II) chloride; sodium carbonate / tetrahydrofuran; water / 80 °C / Inert atmosphere

2: sodium hydroxide; water / methanol / 50 °C / Inert atmosphere

With bis-triphenylphosphine-palladium(II) chloride; water; sodium carbonate; sodium hydroxide; In tetrahydrofuran; methanol; water;

DOI:10.1246/bcsj.20210148

upstream raw materials:

2-(2-furyl)benzoic acid methyl ester

2-bromobenzoic acid methyl ester

2-carbomethoxyaniline

2-(methoxycarbonyl)benzenediazonium tetrafluoroborate

Downstream raw materials:

N-(2-aminophenyl)-2-furan-2-ylbenzamide

C₂₈H₂₄Cl₂N₄O₃

2-(furan-2-yl)benzoyl chloride

o-(5-formyl-2-furyl)benzonitrile