7,9-dimethyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one

Basic Information

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CAS Number

886367-24-4

Molecular Formula

C12H15NO

Molecular Weight

189.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CC1=CC(=C2C(=C1)C(=O)CCCN2)C

InChI

InChI=1S/C12H15NO/c1-8-6-9(2)12-10(7-8)11(14)4-3-5-13-12/h6-7,13H,3-5H2,1-2H3

InChIKey

NHRMNGWYLGVOOQ-UHFFFAOYSA-N

LogP

2.691840000000001

Topological Polar Surface Area

29.1 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

226

Synonyms & References

English

7,9-Dimethyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one
5H-1-Benzazepin-5-one,1,2,3,4-tetrahydro-7,9-dimethyl-
7,9-dimethyl-1,2,3,4-tetrahydro-1-benzazepin-5-one
7,9-DIMETHYL-1,2,3,4-TETRAHYDRO-BENZO[B]AZEPIN-5-ONE
7,9-dimethyl-1,2,3,4-tetrahydrobenzo[b]azepin-5-one
1,2,3,4-Tetrahydro-7,9-dimethyl-5H-1-benzazepin-5-one (ACI)
DB-001004
F19662
7,9-Dimethyl-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one
AB39651
7,9-dimethyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one
SCHEMBL108354
886367-24-4
AKOS006287510
DTXSID10676472

MDL Number

MFCD07374508

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 7,9-dimethyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one (CAS: 886367-24-4)?

7,9-dimethyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one (CAS: 886367-24-4) falls under various regulatory guidelines. It is classified according to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a category 4 sensitiser. Additionally, it is subject to the European Union’s Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulation, which requires registration for substances above a certain tonnage threshold. The U.S. Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) may also regulate its use in specific applications, such as pharmaceuticals and cosmetics.

Are there alternatives to 7,9-dimethyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one (CAS: 886367-24-4) in synthesis?

There are several alternatives to 7,9-dimethyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one (CAS: 886367-24-4) in synthesis. Common alternatives include other azepines and similar heterocycles, such as 7-methyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one and 9-methyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one. These compounds can serve similar functional group and reactivity profiles, providing options for synthetic chemists to choose based on specific needs.

What is the market or research trend for 7,9-dimethyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one (CAS: 886367-24-4)?

The market and research trend for 7,9-dimethyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one (CAS: 886367-24-4) is steadily growing, particularly in pharmaceutical and biotechnological applications. This compound is being explored for its potential in treating neurological disorders and as an intermediate in the synthesis of more complex molecules. Research is also focusing on its biodegradability and environmental impact, aligning with the increasing demand for eco-friendly chemicals.

How should waste containing 7,9-dimethyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one (CAS: 886367-24-4) be handled?

Waste containing 7,9-dimethyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one (CAS: 886367-24-4) should be handled with caution to ensure environmental safety. Collect waste in appropriate containers, ensuring they are sealed and labeled accordingly. Incineration is a common disposal method, but professional waste disposal services should be used to handle larger volumes. Environmental protection measures include proper waste collection, storage, and disposal to prevent contamination of soil and water sources. Follow local regulations and guidelines for hazardous waste disposal to ensure compliance with legal requirements.