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33512-26-4

33512-26-4 Structure

33512-26-4 Structure
IdentificationMore
[Name]

DIETHYL (PHTHALIMIDOMETHYL)PHOSPHONATE
[CAS]

33512-26-4
[Synonyms]

DIETHYL (PHTHALIMIDOMETHYL)PHOSPHONATE
LABOTEST-BB LT00452168
(PHTHALIMIDOMETHYL)PHOSPHONIC ACID DIETHYL ESTER
Diethyl(phtalimidomethyl)phosphonate, 98+ %
[Molecular Formula]

C13H16NO5P
[MDL Number]

MFCD00134313
[Molecular Weight]

297.24
[MOL File]

33512-26-4.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE TO OFF-WHITE CRYSTALLINE POWDER
[Melting point ]

60-64 °C(lit.)
[Boiling point ]

423.3±28.0 °C(Predicted)
[density ]

1.312±0.06 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[form ]

solid
[pka]

-2.49±0.20(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C13H16NO5P/c1-3-18-20(17,19-4-2)9-14-12(15)10-7-5-6-8-11(10)13(14)16/h5-8H,3-4,9H2,1-2H3
[InChIKey]

IUZMHUAHKBHJFY-UHFFFAOYSA-N
[SMILES]

P(CN1C(=O)C2=C(C1=O)C=CC=C2)(=O)(OCC)OCC
[CAS DataBase Reference]

33512-26-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45-24/25
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

3
[HS Code ]

29337900
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Hazard InformationBack Directory
[Chemical Properties]

WHITE TO OFF-WHITE CRYSTALLINE POWDER
[Uses]

Reacant for:
  • Horner-Wadsworth-Emmons reactions
  • Preparation of macrocyclic phosphorous acid analogs as inhibitors of HCV-NS3 protease
  • Synthesis of dendrimer-based pH-responsive MRI contrast agent
[Synthesis Reference(s)]

Synthesis, p. 909, 1994 DOI: 10.1055/s-1994-25599
[reaction suitability]

reaction type: C-C Bond Formation
Spectrum DetailBack Directory
[Spectrum Detail]

DIETHYL (PHTHALIMIDOMETHYL)PHOSPHONATE(33512-26-4)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Diethyl(phthalimidomethyl)phosphonate, 97%(33512-26-4)
[Alfa Aesar]

Diethyl (phthalimidomethyl)phosphonate, 97%(33512-26-4)
[Sigma Aldrich]

33512-26-4(sigmaaldrich)
[TCI AMERICA]

Diethyl (Phthalimidomethyl)phosphonate,>98.0%(GC)(33512-26-4)
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