8-Hydroxy-1,3,4,5-tetrahydrobenzo[b]azepin-2-one

Base Information

Chemical Name:8-Hydroxy-1,3,4,5-tetrahydrobenzo[b]azepin-2-one
CAS No.:22246-84-0
Molecular Formula:C10H11NO2
Molecular Weight:177.20000
Hs Code.:
DSSTox Substance ID:DTXSID10432797
Wikidata:Q82246906
Mol file:22246-84-0.mol

Synonyms:22246-84-0;8-Hydroxy-1,3,4,5-tetrahydrobenzo[b]azepin-2-one;8-hydroxy-1,3,4,5-tetrahydro-1-benzazepin-2-one;8-Hydroxy-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one;8-hydroxy-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one;SCHEMBL4462879;8-Hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepine-2-one;DTXSID10432797;WEGLOXRRKPYARS-UHFFFAOYSA-N;MFCD22571424;SY312300;CS-0166001;8-Hydroxy-1,3,4,5-tetrahydro-benzo[b]azepin-2-one;8-Hydroxy-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one (Brexpiprazole Impurity pound(c)

Suppliers and Price of 8-Hydroxy-1,3,4,5-tetrahydrobenzo[b]azepin-2-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 8-Hydroxy-1,3,4,5-tetrahydrobenzo[b]azepin-2-one

Chemical Property:

PSA：52.82000
LogP:1.75210
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:177.078978594
Heavy Atom Count:13
Complexity:205

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC2=C(C=C(C=C2)O)NC(=O)C1

Technology Process of 8-Hydroxy-1,3,4,5-tetrahydrobenzo[b]azepin-2-one

There total 3 articles about 8-Hydroxy-1,3,4,5-tetrahydrobenzo[b]azepin-2-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 76.0%

: 22246-83-9
8-methoxy-2,3,4,5-tetrahydro-1H-[1]benzazepin-2-one

: 22246-84-0
8-Hydroxy-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin

Guidance literature:: With boron tribromide; In 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran;

Reference yield:

: 6836-19-7
7-Methoxy-1-tetralone

: 22246-84-0
8-Hydroxy-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin

Guidance literature:: Multi-step reaction with 3 steps

1: hydroxylamine hydrochloride; sodium acetate / ethanol; water / 16 h / Heating / reflux

2: polyphosphoric acid / water / 0.58 h / 115 °C

3: boron tribromide / dichloromethane / 16 h / -78 - 20 °C

With hydroxylamine hydrochloride; sodium acetate; boron tribromide; In ethanol; dichloromethane; water;