Cas no 16817-24-6 (3,7-DIMETHYL-BENZOFURAN-2-CARBOXYLIC ACID)

3,7-Dimethyl-benzofuran-2-carboxylic acid is a benzofuran derivative characterized by its carboxylic acid functional group at the 2-position and methyl substituents at the 3- and 7-positions. This compound serves as a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and functional materials. Its structured benzofuran core offers stability and reactivity, making it suitable for further derivatization. The methyl groups enhance lipophilicity, potentially improving bioavailability in drug design applications. The carboxylic acid moiety allows for versatile transformations, including esterification, amidation, or metal-catalyzed coupling reactions. This compound is typically handled under standard laboratory conditions, with purity and stability being key considerations for synthetic applications.
3,7-DIMETHYL-BENZOFURAN-2-CARBOXYLIC ACID structure
16817-24-6 structure
Product Name:3,7-DIMETHYL-BENZOFURAN-2-CARBOXYLIC ACID
CAS No:16817-24-6
MF:C11H10O3
MW:190.195303440094
CID:892599
PubChem ID:3163284
Update Time:2025-10-22

3,7-DIMETHYL-BENZOFURAN-2-CARBOXYLIC ACID Chemical and Physical Properties

Names and Identifiers

    • 3,7-DIMETHYL-BENZOFURAN-2-CARBOXYLIC ACID
    • 3,7-dimethyl-1-benzofuran-2-carboxylic acid
    • ASINEX-REAG BAS 12719308
    • 3,7-dimethyl-1-benzofuran-2-carboxylic acid, AldrichCPR
    • EN300-53340
    • 3,7-Dimethyl-2-benzofurancarboxylic acid
    • DTXSID40390336
    • CHEMBL2314507
    • CS-0251051
    • F2169-0501
    • 3,7-dimethylbenzofuran-2-carboxylic acid
    • SCHEMBL11748492
    • 3,7-dimethylbenzofuran-2-carboxylicacid
    • BDBM50424722
    • G38050
    • AB01323190-02
    • NCGC00327699-01
    • Z384972000
    • DB-394248
    • 16817-24-6
    • AKOS000360032
    • MDL: MFCD07186500
    • Inchi: 1S/C11H10O3/c1-6-4-3-5-8-7(2)10(11(12)13)14-9(6)8/h3-5H,1-2H3,(H,12,13)
    • InChI Key: KUEJSYJMMRPGTH-UHFFFAOYSA-N
    • SMILES: O1C(C(=O)O)=C(C)C2C=CC=C(C)C1=2

Computed Properties

  • Exact Mass: 190.062994177g/mol
  • Monoisotopic Mass: 190.062994177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 239
  • 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: 2.9
  • Topological Polar Surface Area: 50.4?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 345.1±37.0 °C at 760 mmHg
  • Flash Point: 162.5±26.5 °C
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

3,7-DIMETHYL-BENZOFURAN-2-CARBOXYLIC ACID Security Information

3,7-DIMETHYL-BENZOFURAN-2-CARBOXYLIC ACID Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D462273-25mg
3,7-Dimethyl-2-benzofurancarboxylic Acid
16817-24-6
25mg
$ 50.00 2022-06-05
TRC
D462273-50mg
3,7-Dimethyl-2-benzofurancarboxylic Acid
16817-24-6
50mg
$ 70.00 2022-06-05
TRC
D462273-250mg
3,7-Dimethyl-2-benzofurancarboxylic Acid
16817-24-6
250mg
$ 250.00 2022-06-05
Chemenu
CM379824-1g
3,7-dimethyl-1-benzofuran-2-carboxylic acid
16817-24-6 95%+
1g
$249 2023-02-17
Enamine
EN300-53340-0.05g
3,7-dimethyl-1-benzofuran-2-carboxylic acid
16817-24-6 95.0%
0.05g
$46.0 2025-02-20
Enamine
EN300-53340-0.1g
3,7-dimethyl-1-benzofuran-2-carboxylic acid
16817-24-6 95.0%
0.1g
$73.0 2025-02-20
Enamine
EN300-53340-0.25g
3,7-dimethyl-1-benzofuran-2-carboxylic acid
16817-24-6 95.0%
0.25g
$105.0 2025-02-20
Enamine
EN300-53340-0.5g
3,7-dimethyl-1-benzofuran-2-carboxylic acid
16817-24-6 95.0%
0.5g
$197.0 2025-02-20
Enamine
EN300-53340-1.0g
3,7-dimethyl-1-benzofuran-2-carboxylic acid
16817-24-6 95.0%
1.0g
$284.0 2025-02-20
Enamine
EN300-53340-2.5g
3,7-dimethyl-1-benzofuran-2-carboxylic acid
16817-24-6 95.0%
2.5g
$558.0 2025-02-20

Additional information on 3,7-DIMETHYL-BENZOFURAN-2-CARBOXYLIC ACID

Exploring the Properties and Applications of 3,7-DIMETHYL-BENZOFURAN-2-CARBOXYLIC ACID (CAS No. 16817-24-6)

3,7-DIMETHYL-BENZOFURAN-2-CARBOXYLIC ACID (CAS No. 16817-24-6) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This compound belongs to the benzofuran family, a class of heterocyclic structures known for their diverse biological activities. With the increasing demand for novel drug intermediates and functional materials, researchers are actively exploring the potential of 3,7-DIMETHYL-BENZOFURAN-2-CARBOXYLIC ACID in various applications.

The molecular structure of 3,7-DIMETHYL-BENZOFURAN-2-CARBOXYLIC ACID features a benzofuran core substituted with methyl groups at positions 3 and 7, along with a carboxylic acid functional group at position 2. This unique arrangement contributes to its distinct physicochemical properties, making it a valuable building block in organic synthesis. Recent studies have highlighted its role as a precursor in the development of bioactive molecules, particularly in the field of medicinal chemistry.

One of the most frequently asked questions about 3,7-DIMETHYL-BENZOFURAN-2-CARBOXYLIC ACID relates to its synthesis and purification methods. The compound is typically synthesized through multi-step organic reactions, including cyclization and oxidation processes. Advanced techniques such as high-performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) spectroscopy are employed to ensure its purity and structural integrity. These methods align with the growing emphasis on green chemistry and sustainable production practices in the chemical industry.

In the context of current research trends, 3,7-DIMETHYL-BENZOFURAN-2-CARBOXYLIC ACID has shown promise in the development of pharmaceutical intermediates. Its structural motif is often incorporated into molecules designed for anti-inflammatory and antioxidant applications. Researchers are particularly interested in its potential to modulate biological pathways, which could lead to breakthroughs in drug discovery. This aligns with the broader industry focus on precision medicine and targeted therapies.

The compound's stability and solubility characteristics make it suitable for various formulation strategies. Scientists are investigating its behavior in different solvent systems and its compatibility with excipients commonly used in drug delivery systems. These studies are crucial for optimizing its performance in pharmaceutical formulations, addressing one of the key challenges in modern drug development.

From an industrial perspective, 3,7-DIMETHYL-BENZOFURAN-2-CARBOXYLIC ACID (CAS No. 16817-24-6) represents an important intermediate in fine chemical production. Manufacturers are increasingly focusing on scalable synthesis routes to meet the growing demand from research institutions and pharmaceutical companies. Quality control measures for this compound typically include rigorous testing for impurity profiles and residual solvents, reflecting the industry's commitment to product safety and consistency.

Recent advancements in computational chemistry have enabled more efficient exploration of 3,7-DIMETHYL-BENZOFURAN-2-CARBOXYLIC ACID's molecular properties. Researchers are using molecular docking and quantum mechanical calculations to predict its interactions with biological targets, accelerating the discovery of potential applications. This approach aligns with the current trend toward in silico drug design, which reduces development time and costs.

The analytical characterization of 3,7-DIMETHYL-BENZOFURAN-2-CARBOXYLIC ACID involves comprehensive techniques including mass spectrometry, infrared spectroscopy, and X-ray crystallography. These methods provide detailed insights into its molecular structure and purity, which are essential for research and development purposes. The compound's spectral data has become increasingly important for researchers working on structure-activity relationships.

As the scientific community continues to explore benzofuran derivatives, 3,7-DIMETHYL-BENZOFURAN-2-CARBOXYLIC ACID remains a compound of significant interest. Its potential applications extend beyond pharmaceuticals to areas such as material science and agrochemical research. Future studies may reveal additional uses for this versatile compound, particularly in emerging fields like biodegradable materials and sustainable chemistry.

For researchers seeking information about 3,7-DIMETHYL-BENZOFURAN-2-CARBOXYLIC ACID, common queries often relate to its storage conditions, handling precautions, and commercial availability. Proper storage typically requires protection from moisture and light, while handling should follow standard laboratory safety protocols. These practical considerations are essential for maintaining the compound's stability and ensuring reproducible experimental results.

The growing body of literature on 3,7-DIMETHYL-BENZOFURAN-2-CARBOXYLIC ACID reflects its importance in contemporary chemical research. As new synthetic methodologies and applications continue to emerge, this compound is likely to play an increasingly significant role in the development of innovative chemical solutions. Its versatility and unique structural features position it as a valuable tool for researchers across multiple disciplines.

Recommended suppliers
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Senfeida Chemical Co., Ltd
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shaanxi pure crystal photoelectric technology co. LTD
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk