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About This Item
Linear Formula:
FC6H4MgBr
CAS Number:
Molecular Weight:
199.30
UNSPSC Code:
12352103
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
636802
Quality Level
reaction suitability
reaction type: Grignard Reaction
packaging
Sure/Seal™ of
concentration
1.0 M in THF
density
1.021 g/mL at 25 °C
functional group
fluoro
SMILES string
Fc1ccc([Mg]Br)cc1
InChI
1S/C6H4F.BrH.Mg/c7-6-4-2-1-3-5-6;;/h2-5H;1H;/q;;+1/p-1
InChI key
QYBFFRXNNFXREA-UHFFFAOYSA-M
Application
4-Fluorophenylmagnesium bromide solution (Grignard reagent) can be used as a reagent in the synthesis of:
- Useful key intermediate in the synthesis of paroxetine.
- Arylsulfides via cross-coupling reaction with thiols.
- 4-Arylmethyl-1-phenylpyrazole and 4-aryloxy-1-phenylpyrazole derivatives as androgen receptor antagonists.
- Grignard intermediate for preparing aprepitant.
Legal Information
Sure/Seal is a trademark of Sigma-Aldrich Co. LLC
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Danger
Hazard Classifications
Acute Tox. 4 Oral - Carc. 2 - Eye Dam. 1 - Flam. Liq. 2 - Skin Corr. 1B - STOT SE 3
target_organs
Respiratory system
supp_hazards
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
-4.0 °F - closed cup
flash_point_c
-20 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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Enantioselective synthesis of 3-substituted-4-aryl piperidines useful for the preparation of paroxetine
Murthy KS K, et al.
Tetrahedron Letters, 44(28), 5355-5358 (2003)
Design, synthesis, and biological evaluation of 4-arylmethyl-1-phenylpyrazole and 4-aryloxy-1-phenylpyrazole derivatives as novel androgen receptor antagonists
Yamamoto S, et al.
Bioorganic & Medicinal Chemistry, 20(7), 2338-2352 (2012)
Understanding the origin of unusual stepwise hydrogenation kinetics in the synthesis of the 3-(4-fluorophenyl) morpholine moiety of NK1 receptor antagonist aprepitant
Brands KMJ, et al.
Organic Process Research & Development, 10(1), 109-117 (2006)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 328820-4X25ML | 04065268447406 |
| 328820-100ML | 04061826717875 |
| 328820-800ML | 04061826717882 |



