Ethanone, 2-bromo-1-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]-

Base Information

Chemical Name:Ethanone, 2-bromo-1-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]-
CAS No.:157610-58-7
Molecular Formula:C14H21BrO2Si
Molecular Weight:329.309
Hs Code.:
DSSTox Substance ID:DTXSID70459622
Nikkaji Number:J1.983.412C
Wikidata:Q82283441
Mol file:157610-58-7.mol

Synonyms:157610-58-7;Ethanone, 2-bromo-1-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]-;2-bromo-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanone;SCHEMBL5032713;DTXSID70459622;EN300-33313090;alpha-Bromo-4'-(tert-butyldimethylsilyloxy)acetophenone;2-bromo-1-{4-[(tert-butyldimethylsilyl)oxy]phenyl}ethan-1-one

Suppliers and Price of Ethanone, 2-bromo-1-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]-

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
4-[[(tert-Butyl)dimethylsilyl]oxy]phenacylBromide
5g
$ 1460.00

TRC
4-[[(tert-Butyl)dimethylsilyl]oxy]phenacylBromide
2.5g
$ 805.00

TRC
4-[[(tert-Butyl)dimethylsilyl]oxy]phenacylBromide
1g
$ 330.00

TRC
4-[[(tert-Butyl)dimethylsilyl]oxy]phenacylBromide
500mg
$ 175.00

TRC
4-[[(tert-Butyl)dimethylsilyl]oxy]phenacylBromide
250mg
$ 100.00

Total 1 raw suppliers

Chemical Property of Ethanone, 2-bromo-1-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]-

Chemical Property:

Boiling Point:334.7±22.0 °C(Predicted)
PSA：26.30000
Density:1.191±0.06 g/cm3(Predicted)
LogP:4.64820
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:328.04942
Heavy Atom Count:18
Complexity:289

Purity/Quality:: 4-[[(tert-Butyl)dimethylsilyl]oxy]phenacylBromide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)C(=O)CBr
Uses 4-[[(tert-Butyl)dimethylsilyl]oxy]phenacyl Bromide is an intermediate in the synthesis of 1-(4-(2-Cyclobutoxyethyl)phenoxy)-3-(isopropylamino)propan-2-ol (C988245), which is a derivative of Betaxolol (B328000).

Technology Process of Ethanone, 2-bromo-1-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]-

There total 4 articles about Ethanone, 2-bromo-1-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]- 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: 97.0%

: 149683-53-4
4-(tert-butyldimethylsilyloxy)acetophenone

: 157610-58-7
bromo-1-(4-((tert-butyldimethylsilyl)oxy)phenyl)ethanone

Guidance literature:: 4-(tert-butyldimethylsilyloxy)acetophenone; With trimethylsilyl trifluoromethanesulfonate; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 ℃; for 0.5h;

With N-Bromosuccinimide; In dichloromethane; at 20 ℃; for 4h;
DOI:10.1016/j.tet.2003.10.025

Reference yield: 84.0%

: 157610-58-7
bromo-1-(4-((tert-butyldimethylsilyl)oxy)phenyl)ethanone

Guidance literature:

Reference yield:

: 18162-48-6
tert-butyldimethylsilyl chloride

: 157610-58-7
bromo-1-(4-((tert-butyldimethylsilyl)oxy)phenyl)ethanone

Guidance literature:: Multi-step reaction with 2 steps

1.1: 98 percent / imidazole / dimethylformamide / 0 - 20 °C

2.1: iPr₂NEt; TMSOTf / CH₂Cl₂ / 0.5 h / 0 °C

2.2: 97 percent / N-bromosuccinimide / CH₂Cl₂ / 4 h / 20 °C

With 1H-imidazole; trimethylsilyl trifluoromethanesulfonate; N-ethyl-N,N-diisopropylamine; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/j.tet.2003.10.025