Cas no 4847-94-3 (2H-1,3-benzodioxole-5-carboxamide)

2H-1,3-Benzodioxole-5-carboxamide is a heterocyclic organic compound featuring a benzodioxole core functionalized with a carboxamide group at the 5-position. This structure imparts versatility in synthetic applications, particularly in pharmaceutical and agrochemical research, where it serves as a key intermediate or scaffold. The benzodioxole moiety enhances metabolic stability and bioavailability, while the carboxamide group offers opportunities for further derivatization. Its rigid aromatic system contributes to favorable binding interactions in target molecules. The compound is valued for its compatibility with diverse reaction conditions and its potential in designing biologically active molecules, including enzyme inhibitors or receptor modulators. Proper handling requires standard laboratory precautions due to its organic nature.
2H-1,3-benzodioxole-5-carboxamide structure
4847-94-3 structure
Product Name:2H-1,3-benzodioxole-5-carboxamide
CAS No:4847-94-3
MF:C8H7NO3
MW:165.146082162857
MDL:MFCD00225496
CID:331946
PubChem ID:230365
Update Time:2025-11-02

2H-1,3-benzodioxole-5-carboxamide Chemical and Physical Properties

Names and Identifiers

    • Benzo[d][1,3]dioxole-5-carboxamide
    • 1,3-Benzodioxole-5-carboxamide
    • 1,3-benzodioxol-5-carboxamid
    • 2H-1,3-benzodioxole-5-carboxamide
    • 2H-benzo[d]1,3-dioxolene-5-carboxamide
    • 3,4-methylenedioxybenzamide
    • benzo[1,3]dioxol-5-carboxylic acid amide
    • benzo[1,3]dioxole-5-carboxamide
    • piperonamide
    • Piperonylamide
    • piperonylamine
    • MFCD00225496
    • NSC-25197
    • TS-02204
    • EN300-68357
    • HUSYTLMIRXITQS-UHFFFAOYSA-N
    • Oprea1_159738
    • CS-0452788
    • 1,3-BENZODIOXOLE-6-CARBOXAMIDE
    • s11189
    • FT-0606552
    • 4847-94-3
    • SDCCGMLS-0065900.P001
    • DTXSID90282252
    • J-519725
    • BENZO(1,3)DIOXOLE-5-CARBOXYLIC ACID AMIDE
    • 1,3-benzodioxole-5-carboxamid
    • NSC 25197
    • Z33546650
    • 1,3-dioxaindane-5-carboxamide
    • AKOS008002171
    • SCHEMBL57650
    • NSC25197
    • benzo[1,3]dioxole-5-carboxylic acid amide
    • QRY8JE7TWG
    • STK087111
    • DB-011011
    • MDL: MFCD00225496
    • Inchi: 1S/C8H7NO3/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H2,9,10)
    • InChI Key: HUSYTLMIRXITQS-UHFFFAOYSA-N
    • SMILES: O1COC2C=CC(C(N)=O)=CC1=2

Computed Properties

  • Exact Mass: 165.04300
  • Monoisotopic Mass: 165.043
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 195
  • 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: 0.5
  • Topological Polar Surface Area: 61.6A^2

Experimental Properties

  • Density: 1.384
  • Boiling Point: 283°Cat760mmHg
  • Flash Point: 154.4°C
  • Refractive Index: 1.609
  • PSA: 61.55000
  • LogP: 1.21450

2H-1,3-benzodioxole-5-carboxamide Security Information

2H-1,3-benzodioxole-5-carboxamide 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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Additional information on 2H-1,3-benzodioxole-5-carboxamide

Exploring the Versatile Applications and Properties of 2H-1,3-benzodioxole-5-carboxamide (CAS No. 4847-94-3)

2H-1,3-benzodioxole-5-carboxamide, with the CAS number 4847-94-3, is a fascinating compound that has garnered attention in various scientific and industrial fields. This organic molecule, characterized by its benzodioxole core and carboxamide functional group, exhibits unique chemical properties that make it valuable for research and application. In this comprehensive guide, we delve into its structure, synthesis, applications, and the latest trends surrounding this compound.

The molecular structure of 2H-1,3-benzodioxole-5-carboxamide features a 1,3-benzodioxole ring system, which is known for its stability and versatility in organic chemistry. The presence of the carboxamide group at the 5-position enhances its reactivity, making it a useful intermediate in the synthesis of more complex molecules. Researchers often explore its potential in pharmaceutical and agrochemical applications due to its ability to interact with biological systems.

One of the most searched questions about 2H-1,3-benzodioxole-5-carboxamide is its role in drug discovery. Recent studies have highlighted its potential as a scaffold for designing novel therapeutic agents. The benzodioxole moiety is frequently found in bioactive compounds, and the addition of the carboxamide group can modulate solubility and binding affinity. This has led to increased interest in its use for developing treatments targeting neurological disorders and inflammatory conditions.

In addition to its pharmaceutical applications, 2H-1,3-benzodioxole-5-carboxamide is also explored in material science. Its robust structure and functional groups make it a candidate for creating advanced polymers and coatings. The compound's ability to form hydrogen bonds and its thermal stability are particularly appealing for high-performance materials. Researchers are investigating its incorporation into biodegradable plastics and electronic components, aligning with the global push for sustainable technologies.

The synthesis of 2H-1,3-benzodioxole-5-carboxamide typically involves the reaction of 5-carboxy-1,3-benzodioxole with ammonia or amine derivatives. This process is optimized for high yield and purity, ensuring the compound meets the stringent requirements of industrial and research applications. Recent advancements in green chemistry have also led to more environmentally friendly synthesis routes, reducing the use of hazardous reagents and solvents.

Market trends indicate a growing demand for 2H-1,3-benzodioxole-5-carboxamide, particularly in the pharmaceutical and agrochemical sectors. Its versatility as a building block for more complex molecules has made it a sought-after compound in custom synthesis and contract manufacturing. Companies specializing in fine chemicals are expanding their portfolios to include this compound, catering to the needs of researchers and developers worldwide.

Another hot topic surrounding 2H-1,3-benzodioxole-5-carboxamide is its potential in flavor and fragrance applications. The benzodioxole structure is known to contribute to aromatic profiles, and modifications to the carboxamide group can yield unique scent molecules. This has sparked interest in the cosmetics and food industries, where innovation in sensory experiences is highly valued.

Safety and regulatory considerations are paramount when working with 2H-1,3-benzodioxole-5-carboxamide. While it is not classified as a hazardous substance, proper handling and storage are essential to ensure its stability and longevity. Material Safety Data Sheets (MSDS) provide detailed guidelines for its use, emphasizing the importance of personal protective equipment (PPE) and ventilation in laboratory settings.

In conclusion, 2H-1,3-benzodioxole-5-carboxamide (CAS No. 4847-94-3) is a compound of significant interest across multiple industries. Its unique chemical properties, coupled with its versatility in applications ranging from pharmaceuticals to material science, make it a valuable asset for researchers and manufacturers alike. As the scientific community continues to explore its potential, we can expect to see even more innovative uses for this remarkable molecule in the years to come.

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