Cas no 29970-01-2 (4-Ethoxy-1H-indole-2-carboxylic acid)

4-Ethoxy-1H-indole-2-carboxylic acid is a heterocyclic organic compound featuring an indole core substituted with an ethoxy group at the 4-position and a carboxylic acid moiety at the 2-position. This structure makes it a versatile intermediate in pharmaceutical and agrochemical synthesis, particularly for the development of bioactive molecules. Its indole scaffold is significant in medicinal chemistry due to its prevalence in natural products and drug candidates. The ethoxy and carboxylic acid functional groups enhance its reactivity, enabling selective modifications for targeted applications. The compound is characterized by high purity and stability, ensuring reliable performance in research and industrial processes. Its synthetic utility and structural features make it valuable for advanced chemical studies.
4-Ethoxy-1H-indole-2-carboxylic acid structure
29970-01-2 structure
Product Name:4-Ethoxy-1H-indole-2-carboxylic acid
CAS No:29970-01-2
MF:C11H11NO3
MW:205.209943056107
MDL:MFCD02664459
CID:1079041
PubChem ID:4203428
Update Time:2025-11-02

4-Ethoxy-1H-indole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Ethoxy-1H-indole-2-carboxylic acid
    • NCGC00335452-01
    • MFCD02664459
    • 29970-01-2
    • 4-Ethoxy-1H-indole-2-carboxylic acid, AldrichCPR
    • 4-Ethoxy-1H-indole-2-carboxylicacid
    • AMY31751
    • ALBB-031303
    • AB01327630-02
    • Z119989614
    • STK893468
    • EN300-15097
    • BBL020778
    • AKOS000118387
    • SCHEMBL1144792
    • H11882
    • LS-11316
    • DB-426521
    • MDL: MFCD02664459
    • Inchi: 1S/C11H11NO3/c1-2-15-10-5-3-4-8-7(10)6-9(12-8)11(13)14/h3-6,12H,2H2,1H3,(H,13,14)
    • InChI Key: LJWIZTFZBBEWOJ-UHFFFAOYSA-N
    • SMILES: O(CC)C1=CC=CC2=C1C=C(C(=O)O)N2

Computed Properties

  • Exact Mass: 205.07400
  • Monoisotopic Mass: 205.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 244
  • 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: 62.3?2

Experimental Properties

  • PSA: 62.32000
  • LogP: 2.26480

4-Ethoxy-1H-indole-2-carboxylic acid Security Information

  • HazardClass:IRRITANT

4-Ethoxy-1H-indole-2-carboxylic acid Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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4-Ethoxy-1H-indole-2-carboxylic acid Suppliers

Amadis Chemical Company Limited
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(CAS:29970-01-2)4-Ethoxy-1H-indole-2-carboxylic acid
Order Number:A941008
Stock Status:in Stock
Quantity:250mg/1g/5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 15:36
Price ($):164.0/406.0/1213.0

Additional information on 4-Ethoxy-1H-indole-2-carboxylic acid

4-Ethoxy-1H-indole-2-carboxylic acid (CAS No. 29970-01-2): Properties, Applications, and Market Insights

4-Ethoxy-1H-indole-2-carboxylic acid (CAS No. 29970-01-2) is a specialized organic compound belonging to the indole carboxylic acid derivatives family. With the molecular formula C11H11NO3, this compound has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. The presence of both ethoxy and carboxylic acid functional groups on the indole backbone makes it a versatile intermediate for synthesizing more complex molecules.

The compound exhibits a white to off-white crystalline powder appearance under standard conditions. Its solubility profile shows moderate solubility in polar organic solvents like methanol, ethanol, and dimethyl sulfoxide (DMSO), while being less soluble in water. The indole-2-carboxylic acid moiety contributes to its potential biological activity, particularly in medicinal chemistry applications. Recent studies have explored its role as a building block for developing novel heterocyclic compounds with potential therapeutic effects.

In pharmaceutical research, 4-Ethoxy-1H-indole-2-carboxylic acid serves as a crucial intermediate for the synthesis of various drug candidates. Its structural similarity to naturally occurring indole alkaloids makes it particularly valuable in developing compounds targeting neurological disorders and inflammatory conditions. The compound's ethoxy substitution at the 4-position enhances its metabolic stability compared to unsubstituted indole derivatives, a feature highly sought after in drug design.

The agrochemical industry has shown growing interest in indole carboxylic acid derivatives like 29970-01-2 for developing new plant growth regulators and eco-friendly pesticides. Researchers are investigating its potential as a precursor for compounds that can modulate plant hormone pathways, particularly those related to auxin metabolism. This application aligns with current market trends favoring sustainable agricultural solutions with reduced environmental impact.

From a synthetic chemistry perspective, 4-Ethoxy-1H-indole-2-carboxylic acid offers multiple reactive sites for further functionalization. The carboxylic acid group can undergo typical reactions such as esterification, amidation, or reduction, while the indole nitrogen and the ethoxy group provide additional modification opportunities. This versatility makes it valuable for combinatorial chemistry and high-throughput screening approaches in drug discovery.

Market analysis indicates steady growth in demand for specialized indole derivatives like CAS 29970-01-2, driven by expanding pharmaceutical R&D budgets and increasing interest in heterocyclic chemistry. The compound's price stability and reliable supply chain have made it a preferred choice among medicinal chemists. Current research trends focus on developing more efficient synthetic routes to improve yield and reduce production costs while maintaining high purity standards.

Quality control for 4-Ethoxy-1H-indole-2-carboxylic acid typically involves HPLC analysis to ensure ≥98% purity, with characterization by NMR spectroscopy and mass spectrometry. Storage recommendations include keeping the compound in a cool, dry place away from light and moisture to maintain stability. Proper handling procedures should be followed, including the use of personal protective equipment when working with the powder form to prevent inhalation or skin contact.

Recent innovations in green chemistry have explored more sustainable methods for synthesizing indole-2-carboxylic acid derivatives. These include catalytic approaches that reduce waste generation and energy consumption during production. Such developments align with the pharmaceutical industry's increasing emphasis on environmentally friendly manufacturing processes while maintaining cost-effectiveness and scalability.

The future outlook for 4-Ethoxy-1H-indole-2-carboxylic acid appears promising, with potential applications expanding beyond traditional pharmaceutical uses. Emerging research areas include its incorporation into materials science applications, particularly in the development of organic semiconductors and functional polymers. The compound's electronic properties, stemming from its conjugated indole system, make it an interesting candidate for these advanced material applications.

For researchers and manufacturers working with CAS 29970-01-2, staying informed about regulatory updates and patent landscapes is crucial. While the compound itself is not subject to special restrictions, derivatives developed from it may require careful consideration of intellectual property rights and regulatory compliance, especially for pharmaceutical applications. Regular monitoring of scientific literature and patent databases is recommended to identify new opportunities and potential collaborations.

In conclusion, 4-Ethoxy-1H-indole-2-carboxylic acid represents an important building block in modern organic synthesis with diverse applications across multiple industries. Its unique structural features and synthetic versatility continue to make it a valuable tool for researchers developing new chemical entities. As scientific understanding of indole chemistry advances and synthetic methodologies improve, the importance of this compound is likely to grow further in both academic and industrial settings.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:29970-01-2)4-Ethoxy-1H-indole-2-carboxylic acid
A941008
Purity:99%/99%/99%
Quantity:250mg/1g/5g
Price ($):164.0/406.0/1213.0
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