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About This Item
Linear Formula:
BrC6H3(OCH3)2
CAS Number:
Molecular Weight:
217.06
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
Form:
solid
Quality Level
assay
97%
form
solid
mp
62-66 °C (lit.)
functional group
bromo
SMILES string
COc1cc(Br)cc(OC)c1
InChI
1S/C8H9BrO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3
InChI key
KRWRFIMBWRVMKE-UHFFFAOYSA-N
General description
1-Bromo-3,5-dimethoxybenzene can be synthesized by using 1,3-dimethoxybenzene via iridium-catalyzed arene borylation.
Application
1-Bromo-3,5-dimethoxybenzene may be used to synthesize the following:
- bis-[di-(3,5-dimethoxyphenyl)methylcyclopentadienyl]titanium(IV)dichloride,{η5 - C5H4-CH-[C6H4-(OCH3)2]2)2TiCl2 which can be used as an anti-cancer drug and is obtained via a multistep reaction process
- 5-bromo-benzene-1,3-diol via demethylation with boron tribromide(BBr3)
- 1-bromo-3,5-dimethoxy-2-nitrobenzene via nitration reaction
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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"Diarylmethyl substituted titanocenes: promising anti-cancer drugs"
Pampillon C, et al.
Polyhedron, 25(10), 2101-2108 (2006)
"Photoswitching azo compounds in vivo with red light"
Samanta S, et al.
Journal of the American Chemical Society, 135(26), 9777- 9784 (2013)
"Novel CYP17 inhibitors: Synthesis, biological evaluation, structure?activity relationships and modelling of methoxy-and hydroxy-substituted methyleneimidazolyl biphenyls"
Hille.U, et al.
European Journal of Medicinal Chemistry, 44(7), 2765-2775 (2009)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 569313-25G | 04061832597096 |
| 569313-5G | 04061832280301 |