274259

Methyl P,P-bis(2,2,2-trifluoroethyl)phosphonoacetate

95%

• Synonym(s): Bis(2,2,2-trifluoroethyl) (methoxycarbonylmethyl)phosphonate
• Linear Formula: CH₃O₂CCH₂P(O)(OCH₂CF₃)₂
• CAS Number: 88738-78-7
• Molecular Weight: 318.11
• Beilstein/REAXYS Number: 3594044
• MDL number: MFCD00009901
• UNSPSC Code: 12352108
• PubChem Substance ID: 24856576
• NACRES: NA.22

Properties

• assay: 95%
• form: liquid
• reaction suitability: reaction type: C-C Bond Formation
• refractive index: n20/D 1.370 (lit.)
• density: 1.504 g/mL at 25 °C (lit.)
• functional group: ester; fluoro; phosphonate
• SMILES string: COC(=O)CP(=O)(OCC(F)(F)F)OCC(F)(F)F
• InChI: 1S/C7H9F6O5P/c1-16-5(14)2-19(15,17-3-6(8,9)10)18-4-7(11,12)13/h2-4H2,1H3
• InChI key: PVSJXEDBEXYLML-UHFFFAOYSA-N

Description

Application

Methyl P,P-bis(2,2,2-trifluoroethyl)phosphonoacetate can be used:

• In one of the key synthetic steps for the preparation of trans-hydrindanes and (R)-(+)-umbelactone.
• To prepare a cis-olefinic ester derivative by Still–Gennari olefination of an aldehyde derivative using 18-crown ether and potassium bis(trimethylsilyl)amide (KHMDS).
• In the synthesis of (−)-(6S,2′S)-epi cryptocaryalactone.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• 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: 230.0 °F - closed cup
• flash_point_c: 110 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter