Cas no 4687-24-5 (Benzofuran-3-carboxylic acid methyl ester)

Benzofuran-3-carboxylic acid methyl ester is a versatile heterocyclic compound featuring a benzofuran core esterified with a methyl group at the 3-position. This structure imparts reactivity suitable for further functionalization, making it a valuable intermediate in organic synthesis, particularly in pharmaceuticals and agrochemicals. The ester moiety enhances solubility in organic solvents, facilitating downstream reactions such as hydrolysis or transesterification. Its rigid benzofuran scaffold contributes to stability while allowing for selective modifications. The compound is commonly employed in the development of bioactive molecules, including potential therapeutic agents, due to its compatibility with diverse synthetic pathways. Proper handling under standard laboratory conditions is recommended.
Benzofuran-3-carboxylic acid methyl ester structure
4687-24-5 structure
Product Name:Benzofuran-3-carboxylic acid methyl ester
CAS No:4687-24-5
MF:C10H8O3
MW:176.168723106384
MDL:MFCD15144245
CID:1112734
PubChem ID:12777099
Update Time:2025-10-18

Benzofuran-3-carboxylic acid methyl ester Chemical and Physical Properties

Names and Identifiers

    • 3-Benzofurancarboxylic acid methyl ester
    • 3-BENZOFURANCARBONYL CHLORIDE,METHYL ESTER
    • Benzofuran-3-carboxylic acid methyl ester
    • methyl 1-benzofuran-3-carboxylate
    • DTXSID401269655
    • F88021
    • DA-05650
    • EN300-213302
    • AKOS013433814
    • Methyl benzofuran-3-carboxylate
    • SCHEMBL72202
    • MFCD15144245
    • 3-Benzofurancarboxylic acid, methyl ester
    • Methylbenzofuran-3-carboxylate
    • Methyl benzo[b]furan-3-carboxylate
    • 1-Benzofuran-3-carboxylic acid methyl ester
    • AS-5922
    • 4687-24-5
    • CS-0290535
    • JBZWEVLMFYQKKZ-UHFFFAOYSA-N
    • MDL: MFCD15144245
    • Inchi: 1S/C10H8O3/c1-12-10(11)8-6-13-9-5-3-2-4-7(8)9/h2-6H,1H3
    • InChI Key: JBZWEVLMFYQKKZ-UHFFFAOYSA-N
    • SMILES: O1C=C(C(=O)OC)C2C=CC=CC1=2

Computed Properties

  • Exact Mass: 176.04734
  • Monoisotopic Mass: 176.047344113g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 202
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 39.4?2

Experimental Properties

  • PSA: 39.44

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Benzofuran-3-carboxylic acid methyl ester Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:4687-24-5)Benzofuran-3-carboxylic acid methyl ester
Order Number:A1162856
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 00:15
Price ($):647.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:4687-24-5)Benzofuran-3-carboxylic acid methyl ester
A1162856
Purity:99%
Quantity:5g
Price ($):647.0
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