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12980

Ethyl benzoylacetate

Name: Ethyl benzoylacetate
Brand: ALDRICH

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)

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Properties

vapor density

6.6 (vs air)

Quality Level

100

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

SMILES string

CCOC(=O)CC(=O)c1ccccc1

InChI

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

InChI key

GKKZMYDNDDMXSE-UHFFFAOYSA-N

Description

Application

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

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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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A practical and convenient fluorination of 1,3-dicarbonyl compounds using aqueous HF in the presence of iodosylbenzene.

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

Reaction of iodonium ylides of 1,3-dicarbonyl compounds with HF reagents.

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

Global Trade Item Number

SKU	GTIN
12980-100ML	04061836691004