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Merck
CN

274259

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

95%

Synonym(s):

Bis(2,2,2-trifluoroethyl) (methoxycarbonylmethyl)phosphonate

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About This Item

Linear Formula:
CH3O2CCH2P(O)(OCH2CF3)2
CAS Number:
88738-78-7
Molecular Weight:
318.11
UNSPSC Code:
12352108
NACRES:
NA.22
PubChem Substance ID:
24856576
MDL number:
MFCD00009901
Beilstein/REAXYS Number:
3594044
Assay:
95%
Form:
liquid

Key Documents

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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

SMILES string

COC(=O)CP(=O)(OCC(F)(F)F)OCC(F)(F)F

InChI key

PVSJXEDBEXYLML-UHFFFAOYSA-N

assay

95%

form

liquid

reaction suitability

reaction type: C-C Bond Formation

Quality Level

200

density

1.504 g/mL at 25 °C (lit.)

functional group

ester, fluoro, phosphonate

Related Categories

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.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000220085
0000220085
0000084336
0000141928
0000098537

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Journal of the Chemical Society. Perkin Transactions 1, 2527-2527 (1992)
Sulfur-mediated intramolecular double Michael-type reaction: synthesis of trans-hydroindanes and mechanism
Ihara M, et al.
Journal of the Chemical Society. Perkin Transactions 1, 19, 2527-2535 (1992)
First stereoselective total synthesis of pectinolide H
Ramesh D, et al.
Tetrahedron Letters, 53(10), 1258-1260 (2012)
Stereoselective total synthesis of (+)-(6R, 2′S)-cryptocaryalactone and (−)-(6S, 2′S)-epi cryptocaryalactone
Sabitha G, et al.
Tetrahedron, 64(44), 10207-10213 (2008)
An expedient synthesis of (R)-(+)-umbelactone
Gibson CL and Handa S
Tetrahedron Asymmetry, 7(5), 1281-1284 (1996)

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