5-(4-Chlorophenyl)-2-furoic acid

Base Information

• Chemical Name: 5-(4-Chlorophenyl)-2-furoic acid
• CAS No.: 41019-45-8
• Molecular Formula: C11H7ClO3
• Molecular Weight: 222.628
• Hs Code.: 2932190090
• European Community (EC) Number: 628-208-2
• DSSTox Substance ID: DTXSID10352441
• Nikkaji Number: J1.044.107B
• Wikidata: Q72456950
• ChEMBL ID: CHEMBL197430
• Mol file: 41019-45-8.mol

Synonyms:5-(4-Chlorophenyl)-2-furoic acid;41019-45-8;5-(4-chlorophenyl)furan-2-carboxylic Acid;CHEMBL197430;5-(4-Chloro-phenyl)-furan-2-carboxylic acid;2-Furancarboxylic acid, 5-(4-chlorophenyl)-;Acid, 62;5-(p-chlorophenyl)furoic acid;5-(4-chlorophenyl)furoic acid;SCHEMBL1286218;DTXSID10352441;5-(p-Chlorophenyl)-2furoic acid;CHEBI:194673;XIPQHWUSDHTXOO-UHFFFAOYSA-N;5-(p-chlorophenyl)-2-furoic acid;BCP21411;BBL010342;BDBM50175452;CCG-51700;MFCD00216587;STK711813;AKOS000288873;AT23718;FS-5293;SB60986;5-(4-Chlorophenyl)-2-furoic acid, 97%;5-(4-chlorophenyl)uran-2-carboxylic acid;BB 0222390;CS-0117740;EU-0008094;FT-0639687;EN300-12241;A825397;SR-01000462055;J-640082;J-800085;SR-01000462055-1;SR-01000462055-2;Z57441696

Chemical Property of 5-(4-Chlorophenyl)-2-furoic acid

Chemical Property:

• Appearance/Colour: Pale brown powder
• Vapor Pressure: 6.29E-07mmHg at 25°C
• Melting Point: 198-201 °C (dec.)(lit.)
• Refractive Index: 1.594
• Boiling Point: 394.4 °C at 760 mmHg
• PKA: 3.00±0.10(Predicted)
• Flash Point: 192.3 °C
• PSA: 50.44000
• Density: 1.374 g/cm³
• LogP: 3.29820
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 222.0083718
• Heavy Atom Count: 15
• Complexity: 236

Purity/Quality:

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

5-(4-Chlorophenyl)furan-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(O2)C(=O)O)Cl

Technology Process of 5-(4-Chlorophenyl)-2-furoic acid

There total 14 articles about 5-(4-Chlorophenyl)-2-furoic 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: 96.7%

2-furanoic acid (88-14-2) + 4-chloro-aniline (106-47-8) → 5-(4-chlorophenyl)-2-furoic acid (41019-45-8)

Guidance literature:

With copper acetylacetonate; silver tetrafluoroborate; tert.-butylnitrite; cerium(III) sulfate; 1-butyl-1-methylpyrrolidinium chloride; at 8 ℃; for 8h; Temperature; Reagent/catalyst; Autoclave;

Reference yield: 93.0%

5-(4-chlorophenyl)-2-furaldehyde (34035-03-5) → 5-(4-chlorophenyl)-2-furoic acid (41019-45-8)

Guidance literature:

With silver nitrate; sodium hydroxide; In ethanol; water; for 2h; Reflux;

DOI:10.1007/s00044-021-02711-y

Reference yield: 90.0%

methyl 5-(4-chlorophenyl)furan-2-carboxylate (41019-40-3) → 5-(4-chlorophenyl)-2-furoic acid (41019-45-8)

Guidance literature:

With potassium hydroxide; In ethanol; for 0.5h; Reflux;

DOI:10.1134/S1070428009040125

upstream raw materials:

5-(4-chlorophenyl)-2-furaldehyde

2-furanoic acid

4-chloro-aniline

5-bromo-furan-2-carboxylic acid

Downstream raw materials:

methyl 5-(4-chlorophenyl)furan-2-carboxylate

5-(4-chlorophenyl)-2-furaldehyde

4-{[5-(4-chlorophenyl)-2-furoyl]amino}butanoic acid

Refernces

• 1、 Andrade, Marina M. S.,Protti, ícaro F.,Maltarollo, Vinícius G.,da Costa, Ygor F. G.,de Moraes, Wesley G.,Moreira, Nicole F.,Garcia, Giovana G.,Caran, Gabriel F.,Ottoni, Flaviano M.,Alves, Ricardo J.,Moreira, Carolina P. S.,Martins, Helen R.,Alves, Maria Silvana,de Oliveira, Renata B.. "Synthesis of arylfuran derivatives as potential antibacterial agents". . p. 1074 - 1086. Retrieved 2021/02/26.
• 2、 Ambika,Singh, Pradeep Pratap. "Carbon–Carbon Bond Formation for the Synthesis of 5-Aryl-2-Substituted Furans Catalyzed by K3[Fe(CN)6]". . . Retrieved 2021/10/05.