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213063

Sigma-Aldrich

Methyl 4-fluorobenzoylacetate

95%

Synonym(s):

Methyl 3-(4-fluorophenyl)-3-oxopropionate

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About This Item

Linear Formula:
FC6H4COCH2CO2CH3
CAS Number:
63131-29-3
Molecular Weight:
196.18
Beilstein:
3050469
EC Number:
263-889-6
MDL number:
MFCD00000355
UNSPSC Code:
12352100
PubChem Substance ID:
24852767

Assay

95%

form

liquid

refractive index

n20/D 1.521 (lit.)

density

1.228 g/mL at 25 °C (lit.)

SMILES string

COC(=O)CC(=O)c1ccc(F)cc1

InChI

1S/C10H9FO3/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3

InChI key

HGLVYXXPRSNKQN-UHFFFAOYSA-N

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Application

Methyl 4-fluorobenzoylacetate was used in the synthesis of:
  • 3-amino-4-(-4-fluoro-phenyl)furazan
  • series of substituted coumarin derivatives, potential 5-lipoxygenase inhibitors

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Erich L Grimm et al.
Bioorganic & medicinal chemistry letters, 16(9), 2528-2531 (2006-02-09)
Leukotriene biosynthesis inhibitors have potential as therapeutic agents for asthma and inflammatory diseases. A novel series of substituted coumarin derivatives has been synthesized and the structure-activity relationship was evaluated with respect to their ability to inhibit the formation of leukotrienes
One-pot synthesis of 3-amino-4-aryl-and 3-amino-4-hetarylfurazans.
Sheremetev AB.
Russian Chemical Bulletin, 54(4), 1057-1059 (2005)

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