ChemicalBook > CAS DataBase List > 3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one

3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one

Product Name: 3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one
CAS No.: 86499-96-9
Chemical Name: 3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one
Synonyms: 3-BroMo-2;IHT-PI BBC;3-Bromo-2,3,4,5-tetr;A-BROMOBENZOCAPROLACTAM;3-bromobenzocaprolactam;α-Bromobenzocaprolactam;α-Bromophenylcaprolactam;ALPHA-BROMOBENZO-CAPROLACTAM;3-Bromo-2,3,4,5-tetrahydro-2H-;3-BromoTetrahydrobenazepin-2-One
CBNumber: CB9777910
Molecular Formula: C10H10BrNO
Formula Weight: 240.1
MOL File: 86499-96-9.mol

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3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one Property

Melting point:: 164 °C
Boiling point:: 383.2±42.0 °C(Predicted)
Density: 1.492±0.06 g/cm3(Predicted)
Flash point:: 185.542℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: slightly soluble in ethanol, benzene, acetone, insoluble in water
pka: 13.59±0.40(Predicted)
Appearance: Off-white to light yellow Solid
InChI: InChI=1S/C10H10BrNO/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6H2,(H,12,13)
InChIKey: JMXPGCGROVEPID-UHFFFAOYSA-N
SMILES: N1C2=CC=CC=C2CCC(Br)C1=O
CAS DataBase Reference: 86499-96-9(CAS DataBase Reference)

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

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N-Bromosuccinimide Price

TCI Chemical

Product number: B3393
Product name: 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Purity: >98.0%(GC)
Packaging: 5g
Price: $27
Updated: 2021/12/16

TCI Chemical

Product number: B3393
Product name: 3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Purity: >98.0%(GC)
Packaging: 25g
Price: $81
Updated: 2021/12/16

TRC

Product number: B688283
Product name: 3-Bromo-1,3,4,5-tetrahydro-2h-1-benzazepin-2-one
Packaging: 250mg
Price: $55
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: HCH0021162
Product name: 3-BROMO-1,3,4,5-TETRAHYDRO-2H-1-BENZAZEPIN-2-ONE
Purity: 95.00%
Packaging: 1G
Price: $618.5
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: HCH0021162
Product name: 3-BROMO-1,3,4,5-TETRAHYDRO-2H-1-BENZAZEPIN-2-ONE
Purity: 95.00%
Packaging: 5G
Price: $814.97
Updated: 2021/12/16

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3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one Chemical Properties,Usage,Production

Uses

3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one is an intermediate in the synthesis of Benazepril Hydrochloride. Benazepril Hydrochloride is a first-line antihypertensive drug recommended by the WHO. It is a chiral drug with excellent clinical efficacy, strong safety and tiny side effects in the international antihypertensive drugs of angiotensin converting enzyme inhibitors.

Chemical Properties

White or almost white crystalline

Preparation

The preparation of 3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one is as follows:10 parts by weight of the heated melted polyphosphoric acid was added to the drying kettle, With stirring, The above 2-bromo-3,4-dihydro-N-hydroxy- (2H) -naphthalimide was added in portions at a temperature of 60 ° C, Insulation reaction for 20 hours; The reaction solution was added dropwise to 12.5 parts by weight of water to carry out hydrolysis, Still Washed to give 3-bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one crude; 10 parts by weight of methanol and 0.1 part by weight of activated carbon were added, Heating decolorization, After filtration, the filtrate was cooled to 10 ° C for 20 hours, centrifuged, washed and dried to give 3-bromo-1,3,4,5-tetrahydro-2H-1-benzazepan-2-one. The purity of the product was 3, 10-bromo-1,3,4,5-tetrahydro-2H-1-benzazepan-2-one as high as 99.6% and the yield was as high as 98%.

Synthesis

4424-80-0

86499-96-9

General procedure for the synthesis of 3-bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one from 1,3,4,5-tetrahydro-2H-1-benzazepin-2-one: 1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (1.0 g, 6.20 mmol) was dissolved in anhydrous CHCl3 (15 ml) and cooled to 0 °C ( ice-salt bath). Under argon protection, PCl5 (1.5 g, 7.20 mmol) and I2 (15 mg) were added and stirred at 0 °C for 30 min. Subsequently, Br2 (0.39 ml, 7.51 mmol) was added dropwise to the reaction solution, which was slowly warmed to room temperature and refluxed for 4.0 h under argon protection. After completion of the reaction, the mixture was poured into ice water (20 g) and the organic and aqueous phases were separated after thorough stirring. The aqueous phase was extracted with CHCl3 (25 ml), the organic phases were combined, washed with H2O (5.0 ml), dried over anhydrous MgSO4, filtered and concentrated to dryness, and dried under vacuum to give the crude product. The crude product was purified by silica gel column chromatography (Merck, 70 g) with EtOAc: hexane (1:9) as eluent to afford 3-bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one as an off-white solid (1.137 g, 70.1% yield, melting point 170-172 °C). The structure of the product was confirmed by 1H-NMR and 13C-NMR. TLC detection: Rf 0.13 (silica gel plate, EtOAc:hexane=1:4, observed under UV light).

References

[1] Patent: US6777550, 2004, B1. Location in patent: Page column 28
[2] Patent: US4575503, 1986, A
[3] Patent: US4410520, 1983, A
[4] Patent: US4473575, 1984, A
[5] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 17, p. 3488 - 3494

3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one manufacturers

Weifang Integratechem Co., Ltd.

Product: 3-Bromo-2,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one 86499-96-9
Price: US $70.00/kg
Min. Order: 800kg
Purity: 99%
Supply Ability: 50 ton per month
Release date: 2025-08-27

Shaanxi Dideu New Materials Co. Ltd

Product: 3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one 86499-96-9
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 98.0%
Supply Ability: 10000KGS
Release date: 2025-03-31

Hebei Yanxi Chemical Co., Ltd.

Product: 3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one 86499-96-9
Price: US $50.00/kg
Min. Order: 1kg
Purity: 0.99
Supply Ability: 10000
Release date: 2023-10-23

86499-96-9, 3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-oneRelated Search:

Benzo[b]thien-2-ylboronic acid 2-Bromoethylamine hydrobromide Tetrahydro-4H-pyran-4-one 3-Bromoanisole N-Methyl-2-pyrrolidone Epiandrosterone acetate 4'-Bromoacetophenone 2-Bromoacetophenone Laurocapram Dehydroepiandrosterone Phosphorus oxybromide Bromine 1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one 2-bromo-N-(o-tolyl)propionamide 3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one Nitrogen and hydrogen mixed gas Tetrahydro

Intermediate 3-Bromo-2,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one

3-bromo-1,3,4,5-tetrahydro-2H-1-benzoazepine-2-one

3-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one

3-bromo-1,3,4,5-tetrahydro-2H-1-benzoazepine-2-on

A-BROMOBENZOCAPROLACTAM

ALPHA-BROMOBENZO-CAPROLACTAM

3-Bromobenzocaprolactam 3-Bromo-2,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one

3-Bromo-1,3,4,5-tetrahydro-2<i>H</i>-1-benzazepin-2-one

3-bromobenzocaprolactam

3-bromo-1,3,4,5-tetrahdro-2h-benzazepin-2-one

3-BROMO-1,3,4,5-TETRAHYDRO-2H-1-BENZAZEPIN-2-ONE

3-BROMO-1,3,4,5-TETRAHYDRO-2H-1-BENZAZEPINE-2-ONE

3-BROMO-1,3,4,5-TETRAHYDRO-2H-L-BENZAZEPIN-2-ONE

3-BROMO-1,3,4,5-TETRAHYDRO-BENZO[B]AZEPIN-2-ONE

3-BROMO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPINE-2-ONE

3-BROMO-2,3,4,5-TETRAHYDRO-2H-1-BENZAZEPIN-2-ONE

3-BROMO-2,3,4,5-TETRAHYDRO-2H-BENZO[B]AZEPIN-2-ONE

3-BROMO-2,3,4,5-TETRAHYDRO-2-OXO-1H-1-BENZAZEPINE

3-BROMO-2,3,4,5-TRTRAHYDRO-2H-1-BENZAZEPINE-2-ONE

5-tetrahydro-2H-benzo[b]azepin-2-one

3-BROMO-1,3,4,5-TETRAHYDRO-2H-BENZAZEPIN-2-ONE

3-BROMO-1,3,4,5-TETRAHYDRO-2H-1-BENZAEPINE-2-ONE

3-BBC: 3-BROMO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-2-ONE

3-BROMO-2,3,4,5-TETRAHYDRO-2H-1-BENZAZEPINE-2-ONE

3-Bromo-2,3,4,5-tetrahydro-2H-

3-BROMO-1,3,4,5-TETRAHYDRO-2H-1-BENZAZEPINE-2-ONE HPLC +99.0%

3-BromoTetrahydrobenazepin-2-One

3-BROMO-1,3,4,5-TETRAHYDRO-2H-1-BENZAZEPIN-2-ONE (3-BROMO LACTAM)

α-Bromobenzocaprolactam

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

IHT-PI BBC

3-Bromo-2,3,4,5-tetr

3-BroMo-2

5-Trtrahydro-2H-1-benzazepine-2-one

2H-1-Benzazepin-2-one, 3-broMo-1,3,4,5-tetrahydro-

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

3-Bromo-2,3,4,5-tetrahydro-2-h-1-benzacepin–2one

3-Bromo-2,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one USP/EP/BP

3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one

3-Bromo-2,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one (Benazepril API KSM)

3-Bromo-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one (Alpha-Bromolactum)

3-Bromo-1,3,4,5-tetrahydro-2H-1-benzoazo-2-one

3-Bromo-1,3,4,5-tetrahydro-2-h-1-benzacepin–2one

3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one / Benazepril intermediate

3-bromo-1,3,4,5-tetrahydro-2H-1-benzazazole-2-one

α-Bromophenylcaprolactam

3-bromo-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazazepine

86499-96-9

65-71-6

68499-96-9

96499-96-9

C10H10BrNO

C10H10NOBr

pharmacetical

86499-96-9

john's