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

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

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;3-bromobenzocaprolactam;A-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

Molecular Weight:: 240.1

MDL Number:: MFCD03085918

MOL File:: 86499-96-9.mol

MSDS File:: SDS

Last updated:2025-07-24 18:13:52

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

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)

SAFETY

Risk and Safety Statements

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H315-H319
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one price More Price(15)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
TCI Chemical	B3393	3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one >98.0%(GC)	86499-96-9	5g	$27	2021-12-16	Buy
TCI Chemical	B3393	3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one >98.0%(GC)	86499-96-9	25g	$81	2021-12-16	Buy
TRC	B688283	3-Bromo-1,3,4,5-tetrahydro-2h-1-benzazepin-2-one	86499-96-9	250mg	$55	2021-12-16	Buy
American Custom Chemicals Corporation	HCH0021162	3-BROMO-1,3,4,5-TETRAHYDRO-2H-1-BENZAZEPIN-2-ONE 95.00%	86499-96-9	1G	$618.5	2021-12-16	Buy
American Custom Chemicals Corporation	HCH0021162	3-BROMO-1,3,4,5-TETRAHYDRO-2H-1-BENZAZEPIN-2-ONE 95.00%	86499-96-9	5G	$814.97	2021-12-16	Buy

Product number	Packaging	Price	Buy
B3393	5g	$27	Buy
B3393	25g	$81	Buy
B688283	250mg	$55	Buy
HCH0021162	1G	$618.5	Buy
HCH0021162	5G	$814.97	Buy

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

1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one

4424-80-0

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

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 synthesis

Synthesis of 3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one from 1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one

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

Raw materials

1(2H)-Naphthalenone, 2-bromo-3,4-dihydro-, oxime 2-Bromo-1,2,3,4-tetrahydronaphthalen-1-one 1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one Benzene Phosphorus pentachloride

1-Tetralone iodine Chloroform

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Preparation Products

L-Homophenylalanine ethyl ester S-ATBA [S-(R*,R*)]-1,3,4,5-Tetrahydro-3-[(1-phenylethyl)amino]-2H-1-benzazepin-2-one

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

Global( 312)Suppliers

Supplier	Tel	Email	Country	ProdList	Advantage
AstaTech(Chengdu) Biopharmaceutical Corp.	+86-02882666559 +86-15884417729	gjpu@astatech.com.cn	China	308	58
PRISUN PHARMATECH CO.,LTD	+86-021-54326183-8001 +8618917565227	prisun@prisunpharma.com	China	215	58
Zhejiang Karry Pharmachem Co., Ltd.	+8613567161161	info@karrypharma.com	China	34	58
SHANGHAI KEAN TECHNOLOGY CO., LTD.	+8613817748580	cooperation@kean-chem.com	China	40066	58
Hebei Yanxi Chemical Co., Ltd.	+8618531123677	faithe@yan-xi.com	China	5853	58
Henan Fengda Chemical Co., Ltd	+86-371-86557731 +86-13613820652	info@fdachem.com	China	20202	58
Capot Chemical Co.,Ltd.	+8613336195806	sales@capot.com	China	29731	60
Henan Tianfu Chemical Co.,Ltd.	+86-0371-55170693 +86-19937530512	info@tianfuchem.com	China	21622	55
Nanjing ChemLin Chemical Industry Co., Ltd.	025-83697070	product@chemlin.com.cn	CHINA	3009	60
career henan chemical co	+86-0371-86658258 +8613203830695	sales@coreychem.com	China	29855	58

Supplier	Advantage
AstaTech(Chengdu) Biopharmaceutical Corp.	58
PRISUN PHARMATECH CO.,LTD	58
Zhejiang Karry Pharmachem Co., Ltd.	58
SHANGHAI KEAN TECHNOLOGY CO., LTD.	58
Hebei Yanxi Chemical Co., Ltd.	58
Henan Fengda Chemical Co., Ltd	58
Capot Chemical Co.,Ltd.	60
Henan Tianfu Chemical Co.,Ltd.	55
Nanjing ChemLin Chemical Industry Co., Ltd.	60
career henan chemical co	58

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

Update time	Product	Price	Min. Order	Purity	Supply Ability	Manufacturer
2025-07-25	3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one 86499-96-9	US $0.00-0.00 / KG	1KG	98.0%	10000KGS	Shaanxi Dideu New Materials Co. Ltd
2025-06-20	3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one 86499-96-9	US $50.00 / kg	1kg	0.99	10000	Hebei Yanxi Chemical Co., Ltd.
2024-04-16	3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one 86499-96-9	US $5.00-0.10 / KG	1KG	99%	g-kg-tons, free sample is available	Henan Fengda Chemical Co., Ltd

3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one
86499-96-9
US $0.00-0.00 / KG
98.0%
Shaanxi Dideu New Materials Co. Ltd

3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one
86499-96-9
US $50.00 / kg
0.99
Hebei Yanxi Chemical Co., Ltd.

3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one
86499-96-9
US $5.00-0.10 / KG
99%
Henan Fengda Chemical Co., Ltd

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

3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one(86499-96-9)¹HNMR

86499-96-9(3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one)Related 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

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