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Merck
CN

12980

Ethyl benzoylacetate

redist., ≥97.0% (HPLC)

Synonym(s):

Benzoylacetic acid ethyl ester, Ethyl 3-oxo-3-phenylpropionate

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About This Item

Linear Formula:
C6H5COCH2COOC2H5
CAS Number:
94-02-0
Molecular Weight:
192.21
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
57647044
EC Number:
202-295-3
Beilstein/REAXYS Number:
389944
MDL number:
MFCD00009196
Assay:
≥97.0% (HPLC)

Key Documents

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InChI key

GKKZMYDNDDMXSE-UHFFFAOYSA-N

InChI

1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

SMILES string

CCOC(=O)CC(=O)c1ccccc1

vapor density

6.6 (vs air)

assay

≥97.0% (HPLC)

quality

redist.

refractive index

n20/D 1.52 (lit.), n20/D 1.531

bp

265-270 °C (lit.)

solubility

H2O: insoluble, alcohol: miscible, diethyl ether: miscible

density

1.11 g/mL at 25 °C (lit.)

functional group

ester, ketone, phenyl

Quality Level

100

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Application

Ethyl benzoylacetate (Benzoylacetic acid ethyl ester) was used to prepare ethyl 2-fluoro-2-benzolyacetate. It was also used to synthesize iodonium ylides.

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

284.0 °F - closed cup

flash_point_c

140 °C - closed cup

ppe

Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCB8455
BCBR1525V
1436379V
1432475V
1436379

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Tsugio Kitamura et al.
Organic letters, 13(9), 2392-2394 (2011-04-09)
A simple, practical, and convenient fluorination of 1,3-dicarbonyl compounds was achieved by direct use of aqueous hydrofluoric acid and iodosylbenzene (PhIO). The reaction of ethyl benzoylacetate with the reagent system of aqueous HF and PhIO in CH(2)Cl(2) gave ethyl 2-fluoro-2-benzolyacetate
Keisuke Gondo et al.
Molecules (Basel, Switzerland), 17(6), 6625-6632 (2012-06-26)
Reaction of dibenzoylmethane with (diacetoxyiodo)benzene in the presence of KOH in MeCN quantitatively gave the corresponding iodonium ylide, which was treated with a HF reagent to afford the corresponding 2-fluorinated dibenzoylmethane in 14-50% yields. The similar reaction of the iodonium

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