CAS 352-13-6 4-Fluorophenylmagnesium bromide

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4-Fluorophenylmagnesium bromide

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Catalog Number

ACM352136-1

CAS Number

352-13-6

Product Name

4-Fluorophenylmagnesium bromide

Structure

Category

Salt

Synonyms

4-FLUOROPHENYLMAGNESIUM BROMIDE;4-FLUOROPHENYLMAGNESIUM BROMIDE, 2M IN DIETHYL ETHER;4-fluorophenylmagnesiumbromidesol.;4-FLUOROPHENYLMAGNESIUM BROMIDE, 2.0M SO LUTION IN DIETHYL ETHER;4-FLUOROPHENYLMAGNESIUM BROMIDE SOL., ~2 .0 M IN DIETHYL ET;4-FLUOROPHENYLMAGNESIUM BROMIDE, 1.0M SO LUTION IN TETRAHYDROFURAN;4-FLUOROPHENYLMAGNESIUM BROMIDE SOL., ~1M IN THF;4-Fluorophenylmagnesium Bromide 1.0 M In Tetrahydrofuran

IUPAC Name

magnesium;fluorobenzene;bromide

Molecular Weight

199.3g/mol

Molecular Formula

C6H4BrFMg

Canonical SMILES

C1=CC(=CC=[C-]1)F.[Mg+2].[Br-]

InChI

InChI=1S/C6H4F.BrH.Mg/c7-6-4-2-1-3-5-6;;/h2-5H;1H;/q-1;;+2/p-1

InChI Key

BRKADVNLTRCLOW-UHFFFAOYSA-M

Boiling Point

66°C

Melting Point

5°C

Flash Point

-40°F

Density

1.043g/mL at 25°C

Application

4-Fluorophenylmagnesium bromide, available as a clear yellow to red-brown solution, serves as a crucial Grignard reagent in various synthetic applications. Its primary purpose is to facilitate the synthesis of significant compounds, such as a key intermediate in the production of paroxetine. Additionally, it plays a role in forming arylsulfides through cross-coupling reactions with thiols, and it aids in creating 4-arylmethyl-1-phenylpyrazole and 4-aryloxy-1-phenylpyrazole derivatives, which are useful as androgen receptor antagonists. Moreover, it acts as an important intermediate in the preparation of aprepitant, underscoring its versatility and utility in organic synthesis involving Grignard reactions.

Complexity

133

Covalently-Bonded Unit Count

EC Number

627-087-3

Exact Mass

197.93308g/mol

Formal Charge

Hazard Statements

F+,C,F

Heavy Atom Count

MeSH Entry Terms