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About This Item
Empirical Formula (Hill Notation):
C11H15BrMgO2
Molecular Weight:
283.44
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352103
MDL number:
Product Name
4-(Benzaldehyde diethylacetal)magnesium bromide solution, 1 M in THF
InChI
1S/C11H15O2.BrH.Mg/c1-3-12-11(13-4-2)10-8-6-5-7-9-10;;/h6-9,11H,3-4H2,1-2H3;1H;/q;;+1/p-1
SMILES string
CCOC(OCC)c1ccc([Mg]Br)cc1
InChI key
APPJPCOJOCVSMA-UHFFFAOYSA-M
form
solution
reaction suitability
reaction type: Grignard Reaction
concentration
1 M in THF
density
1.013 g/mL at 25 °C
functional group
ether
Application
4-(Benzaldehyde diethylacetal)magnesium bromide can be used as a substrate in the sp3 C-H arylation of tetrahydroisoquinolines using 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ).
signalword
Danger
hcodes
Hazard Classifications
Carc. 2 - Eye Dam. 1 - Flam. Liq. 2 - Skin Corr. 1C - STOT SE 3
target_organs
Respiratory system
supp_hazards
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
-22.0 °F
flash_point_c
-30 °C
Regulatory Information
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Simple and Direct sp3 C-H Bond Arylation of Tetrahydroisoquinolines and Isochromans via 2, 3-Dichloro-5, 6-dicyano-1, 4-benzoquinone Oxidation under Mild Conditions
Muramatsu W, et al.
Organic Letters, 15(14), 3650-3653 (2013)
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