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13321-61-4

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13321-61-4 Structure

13321-61-4 Structure
IdentificationBack Directory
[Name]

[2-(ETHOXYCARBONYL)-2-OXOETHYLIDENE]TRIPHENYLPHOSPHORANE
[CAS]

13321-61-4
[Synonyms]

NSC 647346
Ethyl(triphenylphosphoranylid
ETHYL (TRIPHENYLPHOSPHORANYLIDENE)PYRUVATE
Ethyl (triphenylphosphoranylidene)pyruvate,95%
Ethyl (triphenylphosphoranylidene)pyruvate 95%
Ethyl 2-oxo-3-(triphenylphosphoranylidene)propanoate
[2-(ETHOXYCARBONYL)-2-OXOETHYLIDENE]TRIPHENYLPHOSPHORANE
[(Carboxycarbonyl)methylene]triphenylphosphorane ethyl ester
[2-(Ethoxycarbonyl)-2-oxoethylidene]triphenylphosphorane , 95 % min.
Ethyl (triphenylphosphoranylidene)pyruvate, [2-(Ethoxycarbonyl)-2-oxoethylidene]triphenylphosphorane
[Molecular Formula]

C23H21O3P
[MDL Number]

MFCD00208428
[MOL File]

13321-61-4.mol
[Molecular Weight]

376.38
Chemical PropertiesBack Directory
[Appearance]

off-white to yellow or brown powder
[Melting point ]

175 °C (dec.)(lit.)
[Boiling point ]

524.6±33.0 °C(Predicted)
[density ]

1.20±0.1 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[InChI]

InChI=1S/C23H21O3P/c1-2-26-23(25)22(24)18-27(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3
[InChIKey]

OQLOPRPWPANPIE-UHFFFAOYSA-N
[SMILES]

C(OCC)(=O)C(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Hazard InformationBack Directory
[Chemical Properties]

off-white to yellow or brown powder
[Uses]

Reactant for:
  • Wittig condensation
  • Chemoenzymic preparation of hexafluoroleucine and tetrafluoroleucine

Reactant for synthesis of:
  • Ahiral and chiral cyclic dehydro-α-amino acid derivatives through nucleophilic addition
  • Peptidyl α-keto-based inhibitors of cruzain
  • Deoxyfluoro-L-arabinofuranosyl triazole nucleoside derivatives with antiviral activity
  • Anti-human immunodificiency virus analogs
[reaction suitability]

reaction type: C-C Bond Formation
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P271-P280
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

37/39-26
[WGK Germany ]

3
[HS Code ]

29310099
[Storage Class]

11 - Combustible Solids
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