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13148-05-5

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13148-05-5 Structure

13148-05-5 Structure
IdentificationBack Directory
[Name]

ETHYL 3-OXO-4-(TRIPHENYLPHOSPHORANYLIDENE)BUTYRATE
[CAS]

13148-05-5
[Synonyms]

ETHYL 3-OXO-4-(TRIPHENYLPHOSPHORANYLIDENE)BUTYRATE
Ethyl 3-oxo-4-(triphenylphosphoranylidene)butanoate
Ethyl 3-oxo-4-(triphenylphosphoranylidene)butyrate,97%
[3-(ETHOXYCARBONYL)-2-OXOPROPYLIDENE]TRIPHENYLPHOSPHORANE
4-(Triphenylphosphoranylidene)acetoacetic Acid Ethyl Ester
3-Oxo-4-(triphenylphosphoranylidene)butanoic Acid Ethyl Ester
[3-(Ethoxycarbonyl)-2-oxopropylidene]triphenylphosphorane, 98 %
Ethyl 3-oxo-4-(triphenylphosphoranylidene)butyrate, [3-(Ethoxycarbonyl)-2-oxopropylidene]triphenylphosphorane
[Molecular Formula]

C24H23O3P
[MDL Number]

MFCD00192162
[MOL File]

13148-05-5.mol
[Molecular Weight]

390.41
Chemical PropertiesBack Directory
[Appearance]

Off-White Powder
[Melting point ]

101-106 °C
[Boiling point ]

544.0±52.0 °C(Predicted)
[density ]

1.18±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

Acetone, Dichloromethane, Methanol
[form ]

solid
[color ]

Off-White to Pale Yellow
[Stability:]

Moisture Sensitive
[InChI]

1S/C24H23O3P/c1-2-27-24(26)18-20(25)19-28(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19H,2,18H2,1H3
[InChIKey]

QYXSFVCJCUXGJH-UHFFFAOYSA-N
[SMILES]

CCOC(=O)CC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3
Hazard InformationBack Directory
[Chemical Properties]

Off-White Powder
[Uses]

A useful synthetic intermediate in the production of antibiotics
[Description]

Ethyl 3-oxo-4-(triphenylphosphoranylidene)butyrate is a Wittig reagent for the stereoselective synthesis of (Z)-enones; annulation reagent for the synthesis of cyclohexenones.
[reaction suitability]

reaction type: C-C Bond Formation
[Synthesis]

Ethyl 4- (Triphenylphosphoranylidene)acetoacetate is prepared in two steps from ethyl or methyl 4-chloroacetoacetates (see Ethyl 4-Chloroacetoacetate), respectively, in 58-68% overall yield (eq 1).
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P271-P280
[Safety Statements ]

24/25
[WGK Germany ]

3
[HS Code ]

29319090
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL 3-OXO-4-(TRIPHENYLPHOSPHORANYLIDENE)BUTYRATE(13148-05-5)IR
ETHYL 3-OXO-4-(TRIPHENYLPHOSPHORANYLIDENE)BUTYRATE(13148-05-5)FT-IR
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