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Sigma-Aldrich

2′,6′-Difluoroacetophenone

97%

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About This Item

Linear Formula:
F2C6H3COCH3
CAS Number:
13670-99-0
Molecular Weight:
156.13
EC Number:
237-151-9
MDL number:
MFCD00000328
UNSPSC Code:
12352100
PubChem Substance ID:
24853937
NACRES:
NA.22

assay

97%

form

liquid

refractive index

n20/D 1.48 (lit.)

bp

76-79 °C/15 mmHg (lit.)

density

1.197 g/mL at 25 °C (lit.)

SMILES string

CC(=O)c1c(F)cccc1F

InChI

1S/C8H6F2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3

InChI key

VGIIILXIQLXVLC-UHFFFAOYSA-N

General description

2′,6′-Difluoroacetophenone undergoes ruthenium-catalyzed phenylation with phenylboronate via carbon-fluorine bond cleavage to yield 2′,6′-diphenylacetophenone.

Application

2′,6′-Difluoroacetophenone was used in the synthesis of 2-amino-4-alkyl- and 2-amino-4-arylquinazolines.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

170.6 °F - closed cup

flash_point_c

77 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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Synthesis of 2-aminoquinazolines from ortho-fluoroketones.
Hynes JB, et al.
Journal of Heterocyclic Chemistry, 32(4), 1185-1187 (1995)
Ruthenium-catalyzed arylation of fluorinated aromatic ketones via< i> ortho</i>-selective carbon-fluorine bond cleavage.
Kawamoto K, et al.
Tetrahedron Letters, 52(44), 5888-5890 (2011)

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