6-Bromo-7-hydroxy-2,2-dimethyl-benzo[1,3]dioxin-4-one

Base Information

Chemical Name:6-Bromo-7-hydroxy-2,2-dimethyl-benzo[1,3]dioxin-4-one
CAS No.:531501-41-4
Molecular Formula:C10H9BrO4
Molecular Weight:273.08
Hs Code.:2932999099
DSSTox Substance ID:DTXSID10464492
Wikidata:Q82289827
Mol file:531501-41-4.mol

Synonyms:6-Bromo-7-hydroxy-2,2-dimethyl-benzo[1,3]dioxin-4-one;531501-41-4;6-Bromo-7-hydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one;6-BROMO-7-HYDROXY-2,2-DIMETHYL-1,3-BENZODIOXIN-4-ONE;6-bromo-7-hydroxy-2,2-dimethyl-2H,4H-1,3-benzodioxin-4-one;6-BROMO-7-HYDROXY-2,2-DIMETHYL-4H-BENZO[D][1,3]DIOXIN-4-ONE;LCZC2458;SCHEMBL3966763;DTXSID10464492;FOZVJTHORLMHQD-UHFFFAOYSA-N;AKOS005264512;AB23800;F73931;6-Bromo-7-hydroxy-2,2-dimethylbenzo[1,3]dioxin-4-one, AldrichCPR

Suppliers and Price of 6-Bromo-7-hydroxy-2,2-dimethyl-benzo[1,3]dioxin-4-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

Matrix Scientific
6-Bromo-7-hydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one
1g
$ 432.00

Matrix Scientific
6-Bromo-7-hydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one
10g
$ 1602.00

Matrix Scientific
6-Bromo-7-hydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one
5g
$ 1206.00

American Custom Chemicals Corporation
6-BROMO-7-HYDROXY-2,2-DIMETHYL-BENZO(1,3)DIOXIN-4-ONE 95.00%
5MG
$ 505.92

Total 4 raw suppliers

Chemical Property of 6-Bromo-7-hydroxy-2,2-dimethyl-benzo[1,3]dioxin-4-one

Chemical Property:

Vapor Pressure:6.37E-08mmHg at 25°C
Boiling Point:427.8°C at 760 mmHg
Flash Point:212.5°C
PSA：55.76000
Density:1.626g/cm³
LogP:2.44000
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:271.96842
Heavy Atom Count:15
Complexity:279

Purity/Quality:

98%min ^*data from raw suppliers

6-Bromo-7-hydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(OC2=CC(=C(C=C2C(=O)O1)Br)O)C

Technology Process of 6-Bromo-7-hydroxy-2,2-dimethyl-benzo[1,3]dioxin-4-one

There total 2 articles about 6-Bromo-7-hydroxy-2,2-dimethyl-benzo[1,3]dioxin-4-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: 61.0%

: 7355-22-8
5-bromo-4-hydroxysalicylic acid

: 67-64-1
acetone

: 531501-41-4
6-bromo-7-hydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one

Guidance literature:: With trifluoroacetic anhydride; In trifluoroacetic acid; at 0 - 25 ℃; for 10h;
DOI:10.1021/ol034276y

Reference yield:

: 89-86-1
4-hydroxysalicylic acid

: 531501-41-4
6-bromo-7-hydroxy-2,2-dimethyl-4H-1,3-benzodioxin-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: 91 percent / Br₂ / acetic acid / 4 h / 25 °C

2: 61 percent / TFA; TFAA / 10 h / 0 - 25 °C

With bromine; trifluoroacetic acid; trifluoroacetic anhydride; In acetic acid;
DOI:10.1016/S0040-4020(03)00862-7