Cas no 1071973-95-9 (6-Methoxy-5-methyl-1H-indole)

6-Methoxy-5-methyl-1H-indole is a substituted indole derivative characterized by a methoxy group at the 6-position and a methyl group at the 5-position of the indole core. This heterocyclic compound serves as a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and functional materials. Its structural features enhance reactivity and selectivity in cross-coupling and electrophilic substitution reactions. The electron-donating methoxy and methyl groups influence its electronic properties, making it useful in the design of bioactive molecules. High purity and consistent quality ensure reliable performance in research and industrial applications. Proper handling and storage under inert conditions are recommended to maintain stability.
6-Methoxy-5-methyl-1H-indole structure
6-Methoxy-5-methyl-1H-indole structure
Product Name:6-Methoxy-5-methyl-1H-indole
CAS No:1071973-95-9
MF:C10H11NO
MW:161.200442552567
MDL:MFCD12405187
CID:840651
PubChem ID:19803837
Update Time:2025-10-18

6-Methoxy-5-methyl-1H-indole Chemical and Physical Properties

Names and Identifiers

    • 6-Methoxy-5-methyl-1H-indole
    • 6-Methoxy-5-Methyl 1H-indole
    • DB-059576
    • DTXSID90600098
    • DS-5768
    • MFCD12405187
    • 6-Methoxy-5-methylindole
    • 1071973-95-9
    • AKOS016010866
    • SB15173
    • DYUQQIYVHISYAL-UHFFFAOYSA-N
    • SCHEMBL187674
    • CS-0050179
    • SY097867
    • MDL: MFCD12405187
    • Inchi: 1S/C10H11NO/c1-7-5-8-3-4-11-9(8)6-10(7)12-2/h3-6,11H,1-2H3
    • InChI Key: DYUQQIYVHISYAL-UHFFFAOYSA-N
    • SMILES: O(C)C1=CC2=C(C=CN2)C=C1C

Computed Properties

  • Exact Mass: 161.084063974g/mol
  • Monoisotopic Mass: 161.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 160
  • 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: 2.4
  • Topological Polar Surface Area: 25?2

Experimental Properties

  • Density: 1.134±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 304.4±22.0 oC (760 Torr),
  • Flash Point: 111.6±12.6 oC,
  • Solubility: Slightly soluble (1 g/l) (25 o C),

6-Methoxy-5-methyl-1H-indole Security Information

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6-Methoxy-5-methyl-1H-indole Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:1071973-95-9)6-Methoxy-5-Methyl 1H-indole
Order Number:sfd827
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:32
Price ($):discuss personally

Additional information on 6-Methoxy-5-methyl-1H-indole

Introduction to 6-Methoxy-5-methyl-1H-indole (CAS No. 1071973-95-9)

6-Methoxy-5-methyl-1H-indole, identified by the Chemical Abstracts Service Number (CAS No.) 1071973-95-9, is a heterocyclic organic compound that belongs to the indole family. This compound has garnered significant attention in the field of pharmaceutical chemistry and medicinal biology due to its structural complexity and potential biological activities. The presence of both methoxy and methyl substituents on the indole ring introduces unique electronic and steric properties, making it a valuable scaffold for drug discovery and development.

The indole core is a well-documented motif in natural products and pharmacologically active molecules. Its aromatic system, coupled with nitrogen functionality, allows for diverse interactions with biological targets, including enzymes and receptors. The specific arrangement of substituents in 6-Methoxy-5-methyl-1H-indole influences its pharmacokinetic profile, solubility, and overall bioactivity. These characteristics make it a promising candidate for further investigation in the development of novel therapeutic agents.

In recent years, there has been a surge in research focused on indole derivatives due to their reported pharmacological effects. Studies have highlighted the potential of indole-based compounds in modulating various biological pathways, including those involved in inflammation, neurodegeneration, and cancer. The methoxy and methyl groups in 6-Methoxy-5-methyl-1H-indole may play a crucial role in modulating its interactions with target proteins, thereby influencing its therapeutic potential.

One of the most compelling aspects of 6-Methoxy-5-methyl-1H-indole is its versatility as a chemical scaffold. Researchers have explored its utility in synthesizing more complex derivatives that exhibit enhanced biological activity. For instance, modifications at the 2-position of the indole ring can introduce additional functional groups, leading to compounds with improved binding affinity and selectivity. Such structural diversification is essential for optimizing drug candidates for clinical use.

The synthesis of 6-Methoxy-5-methyl-1H-indole typically involves multi-step organic reactions that require careful optimization to ensure high yield and purity. Advanced synthetic methodologies, such as palladium-catalyzed cross-coupling reactions, have been employed to construct the indole core efficiently. These techniques not only streamline the synthetic process but also allow for greater control over regioselectivity and stereochemistry.

From a computational chemistry perspective, the molecular structure of 6-Methoxy-5-methyl-1H-indole has been subjected to extensive modeling studies to predict its interaction with biological targets. Quantum mechanical calculations have provided insights into the electronic properties of the molecule, which are critical for understanding its binding mode and pharmacological effects. These computational approaches complement experimental studies by providing rapid screening of potential drug candidates.

Recent advancements in high-throughput screening (HTS) technologies have enabled researchers to rapidly assess the bioactivity of 6-Methoxy-5-methyl-1H-indole and its derivatives. HTS platforms allow for the testing of thousands of compounds against various biological assays simultaneously, facilitating the identification of lead molecules with promising therapeutic profiles. This approach has been instrumental in accelerating drug discovery pipelines across academic and industrial settings.

The pharmacological profile of 6-Methoxy-5-methyl-1H-indole has been explored through both in vitro and in vivo studies. Initial investigations have suggested that this compound may exhibit anti-inflammatory properties by modulating key signaling pathways involved in immune responses. Additionally, preclinical studies have hinted at its potential role in neuroprotective therapies, making it an attractive candidate for further development.

The role of natural products as inspiration for drug discovery cannot be overstated. Many indole derivatives are found in plants and microorganisms, where they serve as defense molecules or signaling compounds. By studying these natural products, chemists can gain insights into their structural features that contribute to biological activity. This knowledge can then be leveraged to design synthetic analogs like 6-Methoxy-5-methyl-1H-indole, which may offer improved efficacy and safety profiles.

In conclusion,6-Methoxy-5-methyl-1H-indole (CAS No. 1071973-95-9) represents a fascinating compound with significant potential in pharmaceutical research. Its unique structural features, combined with reported biological activities, make it a valuable scaffold for developing novel therapeutics. As research continues to uncover new applications for indole derivatives,6-Methoxy-5-methyl-1H-indole is poised to play an important role in addressing unmet medical needs.

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Suzhou Senfeida Chemical Co., Ltd
(CAS:1071973-95-9)6-Methoxy-5-Methyl 1H-indole
sfd827
Purity:99.9%
Quantity:200kg
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