3-phenylfuran-2-carboxylic Acid

Base Information

• Chemical Name: 3-phenylfuran-2-carboxylic Acid
• CAS No.: 169772-63-8
• Molecular Formula: C11H8O3
• Molecular Weight: 188.183
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID10429268
• Wikidata: Q82242262

Synonyms:3-phenylfuran-2-carboxylic Acid;3-phenyl-2-furoic acid;169772-63-8;phenyl-2-furoic acid;3-phenylfuran-2-carboxylicAcid;SCHEMBL1549765;3-Phenyl-2-furancarboxylic acid;DTXSID10429268;3-phenyl-furan-2-carboxylic acid;FSFXNTONSBUTHK-UHFFFAOYSA-N;HMS1773I08;MFCD07838422;AKOS009075541;CS-0215337;EN300-23475;Z147652436

Chemical Property of 3-phenylfuran-2-carboxylic Acid

Chemical Property:

• PSA: 50.44000
• LogP: 2.64480
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 188.047344113
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

97% ^*data from raw suppliers

3-Phenylfuran-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-phenylfuran-2-carboxylic Acid

There total 4 articles about 3-phenylfuran-2-carboxylic 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: 70.0%

3-bromofuran-2-carboxylic acid (14903-90-3) + phenylboronic acid (98-80-6) → 3-phenyl-2-furoic acid (169772-63-8)

Guidance literature:

With sodium hydrogencarbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; water; for 10h; Reflux;

Reference yield:

methyl 3-phenyl-2-furoate (71237-44-0) → 3-phenyl-2-furoic acid (169772-63-8)

Guidance literature:

hydrolysis;

DOI:10.1039/P19810001734

Reference yield:

3-bromofuran-2-carboxylic acid (14903-90-3) → 3-phenyl-2-furoic acid (169772-63-8)

Guidance literature:

Multi-step reaction with 3 steps

1: caesium carbonate / N,N-dimethyl-formamide / 13 h / 25 °C

2: caesium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / water; tetrahydrofuran / 12 h / 80 °C

3: sodium hydroxide / methanol / 2 h / 25 °C

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; caesium carbonate; sodium hydroxide; In tetrahydrofuran; methanol; water; N,N-dimethyl-formamide;

upstream raw materials:

methyl 3-phenyl-2-furoate

3-bromofuran-2-carboxylic acid

phenylboronic acid

methyl 3-bromofuran-2-carboxylate

Downstream raw materials:

4-hydroxy-2-phenylbut-2-en-4-olide

3-Phenyl-2-furoyl chloride

4-chloro-2-phenylbut-2-en-4-olide

4-(2-oxo-3,3a,6,6a-tetrahydro-2H-cyclopentafuran-3-ylidenemethoxy)-2-phenylbut-2-en-4-olide

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