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Isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate(CAS: 629664-81-9)

Isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
CAS Number

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Basic Information

Molecular Formula
C25H24F2N2O3
Molecular Weight
438.47 g/mol

Physical Properties

Boiling Point
617.283°C at 760 mmHg
Density
1.275

Chemical Identifiers

SMILES
CC(C)OC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)C4=CC(=C(C=C4)F)F
InChIKey
INASOKQDNHHMRE-UHFFFAOYSA-N

Database References

MDL Number
MFCD13181507

FAQ

Isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate (CAS: 629664-81-9) falls under the jurisdiction of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for classification and labeling. It is also subject to European REACH regulations for registration, evaluation, authorization, and restriction of chemicals, and may require FDA and EPA notification for specific applications and uses in the United States.
There are several alternatives to Isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate (CAS: 629664-81-9) in synthesis. Common alternatives include other azepinoindole derivatives, such as 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylic acid and its analogs, and other substituted azepinoindoles with different substituents on the benzoyl or azepino rings, which may offer similar or different reactivity profiles.
The market and research trend for Isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate (CAS: 629664-81-9) is focused on its potential use as a precursor in the synthesis of various medicinal and pharmaceutical compounds. Emerging research is exploring its utility in drug discovery and development, particularly in treating conditions such as inflammation and cancer. Additionally, there is growing interest in its environmental and safety profile, driven by increasing regulatory scrutiny and demands for sustainable chemicals.
Waste containing Isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate (CAS: 629664-81-9) should be collected in appropriate containers that are compatible with the chemical's properties and are sealed to prevent leakage. The waste should be stored in a well-ventilated, dry area away from incompatible materials. For disposal, it is recommended to consult local hazardous waste regulations, as it may require specialized incineration or professional waste disposal services to ensure proper handling and minimize environmental impact.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

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