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2649470-87-9

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2649470-87-9 Structure

2649470-87-9 Structure
IdentificationBack Directory
[Name]

2-Furancarboxylic acid, 3-(3,4-difluoro-2-methoxyphenyl)tetrahydro-4,5-dimethyl-5-(trifluoromethyl)-, (2R,3S,4S,5R)-
[CAS]

2649470-87-9
[Synonyms]

(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)tetrahydrofuran-2-carboxylic acid
2-Furancarboxylic acid, 3-(3,4-difluoro-2-methoxyphenyl)tetrahydro-4,5-dimethyl-5-(trifluoromethyl)-, (2R,3S,4S,5R)-
[Molecular Formula]

C15H15F5O4
[MOL File]

2649470-87-9.mol
[Molecular Weight]

354.27
Chemical PropertiesBack Directory
[Boiling point ]

375.0±42.0 °C(Predicted)
[density ]

1.362±0.06 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[pka]

2.97±0.70(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C15H15F5O4/c1-6-9(7-4-5-8(16)10(17)11(7)23-3)12(13(21)22)24-14(6,2)15(18,19)20/h4-6,9,12H,1-3H3,(H,21,22)/t6-,9-,12+,14+/m0/s1
[InChIKey]

HMJBDIINGXHMMN-BEWJGFNTSA-N
[SMILES]

O1[C@@](C)(C(F)(F)F)[C@@H](C)[C@@H](C2=CC=C(F)C(F)=C2OC)[C@@H]1C(O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P305+P351+P338
Hazard InformationBack Directory
[Uses]

Used as a pharmaceutical intermediate, mainly in the intermediate of VX548.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Furancarboxylic acid, 3-(3,4-difluoro-2-methoxyphenyl)tetrahydro-4,5-dimethyl-5-(trifluoromethyl)-, (2R,3S,4S,5R)-(2649470-87-9)1HNMR
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