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

Basic Information

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CAS Number

3139-10-4

Molecular Formula

C10H11NO

Molecular Weight

161.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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CC1=CC2=C(C=C1OC)C=CN2

InChI

InChI=1S/C10H11NO/c1-7-5-9-8(3-4-11-9)6-10(7)12-2/h3-6,11H,1-2H3

InChIKey

IIJZGWAVCFDDDK-UHFFFAOYSA-N

LogP

2.48492

Topological Polar Surface Area

25.02 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Synonyms & References

English

5-Methoxy-6-methyl-1H-indole
6-Methyl-5-methoxy indole
1H-Indole, 5-methoxy-6-methyl-
5-Methoxy-6-methyl-indol
5-methoxy-6-methylindole
5-methoxy-6-methyl-indole
AK119744
CTK1B9805
QC-2978
RD-0150
SureCN187054

MDL Number

MFCD11007893

FAQ

What are the physical and chemical properties of 5-Methoxy-6-methyl-1H-indole (CAS: 3139-10-4)?

5-Methoxy-6-methyl-1H-indole (CAS: 3139-10-4) is a crystalline solid with a molecular weight of approximately 181.21 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and dimethylformamide. Chemically, it is stable under normal conditions but may react with strong acids or bases. It has a characteristic indole odor and exhibits basic properties due to its nitrogen atom.

How is 5-Methoxy-6-methyl-1H-indole (CAS: 3139-10-4) typically synthesized?

5-Methoxy-6-methyl-1H-indole (CAS: 3139-10-4) is commonly synthesized via a multistep process involving the formation of an indole ring followed by methylation and methoxylation. The key reactions include the condensation of an aldehyde with an amine to form an indole, followed by selective methylation and methoxylation steps. This process requires careful control of temperature and pH to achieve high yield and selectivity.

What industries use 5-Methoxy-6-methyl-1H-indole (CAS: 3139-10-4)?

5-Methoxy-6-methyl-1H-indole (CAS: 3139-10-4) is used in pharmaceuticals for the synthesis of certain drugs, as a precursor in polymer synthesis, and in the development of sensors. It is also used in the production of semiconductors and as a flavor and fragrance ingredient in the food and cosmetics industries.

What precautions should be taken when handling 5-Methoxy-6-methyl-1H-indole (CAS: 3139-10-4)?

When handling 5-Methoxy-6-methyl-1H-indole (CAS: 3139-10-4), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be decontaminated. Refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.