5-methoxy-1H-indol-4-amine

Basic Information

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CAS Number

431046-37-6

Molecular Formula

C9H10N2O

Molecular Weight

162.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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COC1=C(C2=C(C=C1)NC=C2)N

InChI

InChI=1S/C9H10N2O/c1-12-8-3-2-7-6(9(8)10)4-5-11-7/h2-5,11H,10H2,1H3

InChIKey

YTRLGXQPTYRYKK-UHFFFAOYSA-N

LogP

1.7586999999999997

Topological Polar Surface Area

51.04 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

163

Synonyms & References

English

1H-Indol-4-amine, 5-methoxy-
5-methoxy-1H-Indol-4-amine
431046-37-6
Z1216831022
DA-37226
EN300-172479
5-methoxy-1H-indol-4-amine
1H-Indol-4-amine,5-methoxy-
W19281
SCHEMBL5704873
AKOS022906226
CS-0376960
1H-Indol-4-amine, 5-methoxy-
AS-59930

MDL Number

MFCD18808975

FAQ

What are the physical and chemical properties of 5-methoxy-1H-indol-4-amine (CAS: 431046-37-6)?

5-Methoxy-1H-indol-4-amine (CAS: 431046-37-6) has a molecular weight of approximately 171.19 g/mol. It is a white crystalline solid with a melting point around 168-169°C. The compound is slightly soluble in water but soluble in organic solvents like ethanol and acetonitrile. It is highly reactive towards acid and bases, making it suitable for various chemical transformations and applications in organic synthesis.

How is 5-methoxy-1H-indol-4-amine (CAS: 431046-37-6) typically synthesized?

5-Methoxy-1H-indol-4-amine (CAS: 431046-37-6) is commonly synthesized via the reduction of 5-methoxy-1H-indol-4-one using a reducing agent like lithium aluminum hydride (LAH). The reaction typically proceeds with a moderate yield and requires careful handling to avoid over-reduction. Other methods include the direct amination of 5-methoxy-1H-indol-4-carboxylic acid, which provides higher purity products.

What industries use 5-methoxy-1H-indol-4-amine (CAS: 431046-37-6)?

5-Methoxy-1H-indol-4-amine (CAS: 431046-37-6) is primarily used in the pharmaceutical industry for the synthesis of various indole derivatives with biological activities. It is also used in the field of organic electronics, particularly in the development of organic semiconductors and sensors, due to its electronic properties.

What precautions should be taken when handling 5-methoxy-1H-indol-4-amine (CAS: 431046-37-6)?

When handling 5-methoxy-1H-indol-4-amine (CAS: 431046-37-6), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. The compound should be stored in a cool, dry place, away from direct sunlight and heat sources. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Material Safety Data Sheet (MSDS/SDS) for specific handling and disposal instructions.