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12990

Ethyl benzoylacetate

Name: Ethyl benzoylacetate
Brand: ALDRICH

technical, ≥95% (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:

57647045

EC Number:

202-295-3

Beilstein/REAXYS Number:

389944

MDL number:

MFCD00009196

Assay:

≥95% (HPLC)

Form:

liquid

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Properties

vapor density

6.6 (vs air)

Quality Level

100

grade

technical

assay

≥95% (HPLC)

form

liquid

refractive index

n20/D 1.52 (lit.), n20/D 1.520-1.540

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

Regulatory Information

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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
D5004-25G	04061833585931
D5004-10G	04061833585924
D5004-100G	04061833585917
12990-500ML	04061836691011
12990-100ML	04061838726605