4-Bromo-3,4-dihydro-2H-benzo[b]oxepin-5-one

Base Information

Chemical Name:4-Bromo-3,4-dihydro-2H-benzo[b]oxepin-5-one
CAS No.:20426-78-2
Molecular Formula:C10H9BrO2
Molecular Weight:241.08100
Hs Code.:2932999099
DSSTox Substance ID:DTXSID80551444
Mol file:20426-78-2.mol

Synonyms:4-Bromo-3,4-dihydro-2H-benzo[b]oxepin-5-one;20426-78-2;4-BROMO-3,4-DIHYDRO-2H-1-BENZOXEPIN-5-ONE;SCHEMBL989344;DTXSID80551444;JSTNDGPFXJMQPV-UHFFFAOYSA-N;4-Bromo-3,4-dihydro-1-benzoxepin-5(2H)-one;4-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-one

Suppliers and Price of 4-Bromo-3,4-dihydro-2H-benzo[b]oxepin-5-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

American Custom Chemicals Corporation
4-BROMO-3,4-DIHYDRO-2H-BENZO[B]OXEPIN-5-ONE 95.00%
10G
$ 6699.00

American Custom Chemicals Corporation
4-BROMO-3,4-DIHYDRO-2H-BENZO[B]OXEPIN-5-ONE 95.00%
5G
$ 5255.25

American Custom Chemicals Corporation
4-BROMO-3,4-DIHYDRO-2H-BENZO[B]OXEPIN-5-ONE 95.00%
1G
$ 2772.00

Total 4 raw suppliers

Chemical Property of 4-Bromo-3,4-dihydro-2H-benzo[b]oxepin-5-one

Chemical Property:

Boiling Point:150 °C(Press: 2 Torr)
PSA：26.30000
Density:1.546±0.06 g/cm3(Predicted)
LogP:2.41530
XLogP3:2.6
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

4-BROMO-3,4-DIHYDRO-2H-BENZO[B]OXEPIN-5-ONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1COC2=CC=CC=C2C(=O)C1Br

Technology Process of 4-Bromo-3,4-dihydro-2H-benzo[b]oxepin-5-one

There total 4 articles about 4-Bromo-3,4-dihydro-2H-benzo[b]oxepin-5-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: 81.0%

: 6786-30-7
3,4-dihydro-1-benzoxepin-5(2H)-one

: 20426-78-2
4-bromo-3,4-dihydro-1(2H)-benzoxepin-5-one

Guidance literature:: With bromine; In diethyl ether; at 0 - 30 ℃; for 2h;
DOI:10.1055/s-1987-28079

Reference yield:

: 6303-58-8
4-phenyloxybutanoic acid

: 20426-78-2
4-bromo-3,4-dihydro-1(2H)-benzoxepin-5-one

Guidance literature:: Multi-step reaction with 2 steps

1: PPA / 100 °C

2: hydrogen bromide; bromine / acetic acid

With hydrogen bromide; bromine; In acetic acid;
DOI:10.1016/j.bmcl.2011.06.124

Reference yield:

: 108-95-2,27073-41-2
phenol

: 20426-78-2
4-bromo-3,4-dihydro-1(2H)-benzoxepin-5-one

Guidance literature:: Multi-step reaction with 3 steps

1: sodium methylate / methanol / Reflux

2: PPA / 100 °C

3: hydrogen bromide; bromine / acetic acid

With hydrogen bromide; bromine; sodium methylate; In methanol; acetic acid;
DOI:10.1016/j.bmcl.2011.06.124