7-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

Basic Information

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CAS Number

53841-99-9

Molecular Formula

C10H10BrNO

Molecular Weight

240.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1CC2=C(C=CC(=C2)Br)NC(=O)C1

InChI

InChI=1S/C10H10BrNO/c11-8-4-5-9-7(6-8)2-1-3-10(13)12-9/h4-6H,1-3H2,(H,12,13)

InChIKey

RVPUXBJFIDCMLW-UHFFFAOYSA-N

LogP

2.7239000000000004

Topological Polar Surface Area

29.1 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

207

Synonyms & References

English

7-Bromo-1,3,4,5-tetrahydrobenzo[b]azepin-2-one
RVPUXBJFIDCMLW-UHFFFAOYSA-N
MFCD07371648
PS-15525
53841-99-9
7-BROMO-1,3,4,5-TETRAHYDRO-BENZO[B]AZEPIN-2-ONE
P19143
Z385461178
7-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
2H-1-Benzazepin-2-one, 7-bromo-1,3,4,5-tetrahydro-
SB37571
7-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one
SCHEMBL3627854
7-Bromo-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
A853548
SY046847
FT-0724376
AMY7862
AKOS009351344
7-bromo-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
DTXSID70566401
EN300-121084
7-Bromo-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
7-BROMO-1,3,4,5-TETRAHYDROBENZO[B]AZEPIN-2-ONE,
7-Brom-1,3,4,5-tetrahydro-2H-benz<b>azepin-2-on
7-bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
7-bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one

MDL Number

MFCD07371648

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 7-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS: 53841-99-9)?

7-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one is a crystalline white to off-white solid with a molecular weight of approximately 275.05 g/mol. It has low solubility in water but is more soluble in organic solvents like dichloromethane and ethanol. This compound exhibits moderate reactivity, particularly towards nucleophilic substitution reactions at the bromine atom.

How is 7-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS: 53841-99-9) typically synthesized?

7-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one is often synthesized via bromination of 1,3,4,5-tetrahydro-2H-1-benzazepin-2-one followed by the introduction of a bromine atom. Commonly, this is achieved using N-bromosuccinimide (NBS) in an organic solvent like dichloromethane under light or heat conditions. The reaction yields a mixture that can be purified through recrystallization from a suitable solvent.

What industries use 7-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS: 53841-99-9)?

7-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one is used in pharmaceuticals for the synthesis of various medicinal compounds. It also finds applications in the development of sensors for chemical detection and in the production of certain polymers. Additionally, it can be used in the synthesis of materials for semiconductors.

What precautions should be taken when handling 7-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS: 53841-99-9)?

When handling 7-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one, it is essential to wear appropriate personal protective equipment (PPE) such as gloves and goggles. The compound should be used in a well-ventilated area or under a fume hood to prevent inhalation. In the event of a spill, immediately clean up the area and consult the Safety Data Sheet (SDS) for specific spill cleanup procedures. Proper disposal should follow local regulations and guidelines.