8-Bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one

Base Information

Chemical Name:8-Bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one
CAS No.:141106-23-2
Molecular Formula:C₁₀H₉BrO₂
Molecular Weight:241.084
Hs Code.:2932999099
DSSTox Substance ID:DTXSID30438958
Wikidata:Q82254813
Mol file:141106-23-2.mol

Synonyms:8-Bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one;141106-23-2;1-Benzoxepin-5(2H)-one, 8-bromo-3,4-dihydro-;8-bromo-3,4-dihydro-1-benzoxepin-5(2H)-one;8-bromo-3,4-dihydro-2H-benzo[b]oxepin-5-one;8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-one;8-BROMO-3,4-DIHYDRO-2H-1-BENZOXEPIN-5-ONE;MFCD09040560;SCHEMBL989822;DTXSID30438958;LXKQMHNFHKVGAZ-UHFFFAOYSA-N;CS-D1250;AKOS009118926;DS-4020;SY123512;EN300-27246;P10679;A885705;1-BENZOXEPIN-5(2H)-ONE,8-BROMO-3,4-DIHYDRO-;Z235344819

Suppliers and Price of 8-Bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-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

TRC
8-Bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one
25mg
$ 45.00

Crysdot
8-Bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one 95+%
1g
$ 218.00

Chemenu
8-bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one 95%
1g
$ 206.00

Chemenu
8-bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one 95%
5g
$ 636.00

Biosynth Carbosynth
8-Bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-one
500 mg
$ 340.00

Biosynth Carbosynth
8-Bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-one
250 mg
$ 225.00

Biosynth Carbosynth
8-Bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-one
1 g
$ 510.00

Biosynth Carbosynth
8-Bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-one
2 g
$ 700.00

Biosynth Carbosynth
8-Bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-one
5 g
$ 1250.00

American Custom Chemicals Corporation
8-BROMO-3,4-DIHYDRO-1-BENZOXEPIN-5(2H)-ONE 95.00%
5G
$ 1548.26

Total 21 raw suppliers

Chemical Property of 8-Bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one

Chemical Property:

Boiling Point:349.0±41.0 °C(Predicted)
PSA：26.30000
Density:1.528±0.06 g/cm3(Predicted)
LogP:2.80440
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:239.97859
Heavy Atom Count:13
Complexity:205

Purity/Quality:

97% ^*data from raw suppliers

8-Bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(=O)C2=C(C=C(C=C2)Br)OC1
Uses 8-Bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one is a useful research chemical.

Technology Process of 8-Bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one

There total 6 articles about 8-Bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-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: 83.0%

: 141106-23-2
8-bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one

Guidance literature:

Reference yield: 75.0%

: 170638-88-7
4-(3-bromophenoxy)butanoic acid

: 141106-23-2
8-bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one

Guidance literature:: With Celite; PPA; In toluene; for 2.5h; Heating / reflux;

Reference yield:

: 591-20-8
3-Bromophenol

: 141106-23-2
8-bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one

Guidance literature:: Multi-step reaction with 3 steps

1.1: potassium carbonate; sodium iodide / acetone / 20 - 80 °C

2.1: water; lithium hydroxide monohydrate / tetrahydrofuran / 48 h / 50 °C

2.2: 20 °C / pH 1

3.1: polyphosphoric acid (PPA) / toluene / 5 h / 110 °C / Celite

With lithium hydroxide monohydrate; water; potassium carbonate; sodium iodide; In tetrahydrofuran; acetone; toluene;