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809179

Sigma-Aldrich

N-Ethyl-N-isopropylpropan-2-aminium 3-(3-Chloro-2,5,6-trifluoropyridin-4-yl)-4-oxo-1,5-dioxaspiro[5.5]-undec-2-en-2-olate

≥95%

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About This Item

Empirical Formula (Hill Notation):
C22H30ClF3N2O4
CAS Number:
1632145-34-6
Molecular Weight:
478.93
UNSPSC Code:
12352200
PubChem Substance ID:
329769144
NACRES:
NA.22
Pricing and availability is not currently available.

Assay

≥95%

form

powder

mp

118-123 °C

storage temp.

2-8°C

SMILES string

FC1=C(F)N=C(F)C(Cl)=C1C2=C([O-])OC3(CCCCC3)OC2=O.CC[NH+](C(C)C)C(C)C

InChI

1S/C14H11ClF3NO4.C8H19N/c15-8-6(9(16)11(18)19-10(8)17)7-12(20)22-14(23-13(7)21)4-2-1-3-5-14;1-6-9(7(2)3)8(4)5/h20H,1-5H2;7-8H,6H2,1-5H3

InChI key

PCXHULBKBXNUIT-UHFFFAOYSA-N

General description

N-Ethyl-N-isopropylpropan-2-aminium 3-(3-chloro-2,5,6-trifluoropyridin-4-yl)-4-oxo-1,5-dioxaspiro[5.5]-undec-2-en-2-olate is a fluoroarylated-meldrum′s acid adduct. It can be prepared by reacting cyclohexyl-Meldrum′s acid with 3-chloro-2,4,5,6- tetrafluoropyridine.[1]

Application

This compound undergoes cycloreversion to form the fluoro(hetero)aryl ketene, which undergoes efficient coupling with nucleophiles and allows rapid incorporation of highly fluorinated α-fluoro(hetero)aryl acetic acid derivatives.

Other Notes

Selective Perfluoro- and Polyfluoroarylation of Meldrum′s Acid

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Precautionary Statements

P305 + P351 + P338

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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