Cas no 41177-72-4 (5-Bromo-2,3-dihydrobenzofuran-7-carboxylic Acid)

5-Bromo-2,3-dihydrobenzofuran-7-carboxylic Acid is a brominated dihydrobenzofuran derivative featuring a carboxylic acid functional group at the 7-position. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical research, where its fused heterocyclic structure is valuable for constructing complex molecules. The bromine substituent enhances reactivity for further functionalization via cross-coupling or nucleophilic substitution reactions. Its rigid scaffold and polar carboxyl group also contribute to applications in medicinal chemistry, such as drug design targeting specific biological pathways. The compound is typically handled under standard laboratory conditions, with purity and stability being critical for reproducible results in synthetic workflows.
5-Bromo-2,3-dihydrobenzofuran-7-carboxylic Acid structure
41177-72-4 structure
Product Name:5-Bromo-2,3-dihydrobenzofuran-7-carboxylic Acid
CAS No:41177-72-4
MF:C9H7BrO3
MW:243.054082155228
MDL:MFCD00191391
CID:825823
PubChem ID:87564604
Update Time:2025-05-23

5-Bromo-2,3-dihydrobenzofuran-7-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-2,3-dihydrobenzofuran-7-carboxylic acid
    • 5-bromo-2,3-dihydro-1-benzofuran-7-carboxylic acid
    • 5-Bromo-2,3-dihydrobenzo[b]furan-7-carboxylic acid
    • 5-Bromocoumaran-7-carboxylic Acid
    • 5-bromo-7-carboxy-2,3-dihydrobenzofuran
    • 5-bromo-2,3-dihydro-benzofuran-7-carboxylic acid
    • 7-Benzofurancarboxylic acid, 5-bromo-2,3-dihydro-
    • zlchem 1161
    • ZLD0630
    • LEBMKAXASFPSFA-UHFFFAOYSA-N
    • 5646AB
    • SBB053300
    • EN001
    • TS-03376
    • EN300-697213
    • 5-bromo-2,3-dihydrobenzofuran-7-carboxylic acid, AldrichCPR
    • DTXSID00383421
    • 5-Bromo-2,3-dihydrobenzofuran-7-carboxylicAcid
    • 5-bromo-2,3 -dihydrobenzofuran-7-carboxylic acid
    • MFCD00191391
    • CS-W023134
    • DB-049723
    • J-516870
    • SCHEMBL1029688
    • B1705
    • AKOS015994831
    • SY050793
    • 41177-72-4
    • 5-Bromo-2,3-dihydrobenzofuran-7-carboxylic Acid
    • MDL: MFCD00191391
    • Inchi: 1S/C9H7BrO3/c10-6-3-5-1-2-13-8(5)7(4-6)9(11)12/h3-4H,1-2H2,(H,11,12)
    • InChI Key: LEBMKAXASFPSFA-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C(=O)O)C2=C(C=1)CCO2

Computed Properties

  • Exact Mass: 241.95800
  • Monoisotopic Mass: 241.95786g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 219
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.1
  • Topological Polar Surface Area: 46.5

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.8±0.1 g/cm3
  • Melting Point: 230.0 to 235.0 deg-C
  • Boiling Point: 379.6°C at 760 mmHg
  • Flash Point: 183.4±27.9 °C
  • PSA: 46.53000
  • LogP: 2.08220
  • Solubility: Not determined
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

5-Bromo-2,3-dihydrobenzofuran-7-carboxylic Acid Security Information

5-Bromo-2,3-dihydrobenzofuran-7-carboxylic Acid Customs Data

  • HS CODE:2932999099
  • Customs Data:

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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5-Bromo-2,3-dihydrobenzofuran-7-carboxylic Acid Production Method

Additional information on 5-Bromo-2,3-dihydrobenzofuran-7-carboxylic Acid

5-Bromo-2,3-dihydrobenzofuran-7-carboxylic Acid: A Comprehensive Overview

The compound 5-Bromo-2,3-dihydrobenzofuran-7-carboxylic Acid, with the CAS number 41177-72-4, is a fascinating molecule that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound belongs to the class of benzofuran derivatives, which are known for their diverse biological activities and structural versatility. The presence of the bromine atom at position 5 and the carboxylic acid group at position 7 makes this molecule unique, offering potential applications in drug discovery and material science.

Recent studies have highlighted the importance of benzofuran derivatives in medicinal chemistry. The 5-Bromo-2,3-dihydrobenzofuran-7-carboxylic Acid structure has been explored for its potential as an anti-inflammatory agent. Researchers have found that this compound exhibits significant inhibitory effects on cyclooxygenase (COX) enzymes, which are key players in inflammation and pain pathways. This finding underscores its potential as a lead compound for developing novel anti-inflammatory drugs.

In addition to its pharmacological properties, the synthesis of 5-Bromo-2,3-dihydrobenzofuran-7-carboxylic Acid has been optimized using green chemistry principles. Traditional methods often involved multi-step reactions with hazardous reagents, but recent advancements have introduced more efficient and environmentally friendly approaches. For instance, microwave-assisted synthesis has been employed to streamline the reaction process, reducing both time and energy consumption.

The structural uniqueness of this compound also makes it a valuable substrate for further chemical modifications. Scientists have explored its use as a building block for constructing more complex molecules with enhanced bioactivity. For example, researchers have attached various functional groups to the carboxylic acid moiety to enhance solubility and improve pharmacokinetic profiles.

From an analytical standpoint, the characterization of 5-Bromo-2,3-dihydrobenzofuran-7-carboxylic Acid has been achieved using advanced spectroscopic techniques such as nuclear magnetic resonance (NMR) and mass spectrometry (MS). These methods provide detailed insights into the molecular structure and purity of the compound, ensuring its reliability for further studies.

In conclusion, 5-Bromo-2,3-dihydrobenzofuran-7-carboxylic Acid represents a promising molecule with diverse applications in medicinal chemistry and beyond. Its unique structure, coupled with recent advancements in synthesis and biological evaluation, positions it as a valuable asset in both academic research and industrial development.

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