ChemicalBook--->CAS DataBase List--->2245335-71-9

2245335-71-9

2245335-71-9 Structure

2245335-71-9 Structure
IdentificationBack Directory
[Name]

1,3,2-Benzoxathiaphosphole, hexahydro-3a-methyl-6-(1-methylethenyl)-2-[(2,3,4,5,6-pentafluorophenyl)thio]-, 2-sulfide, (2R,3aR,6S,7aR)-
[CAS]

2245335-71-9
[Synonyms]

(2R,3aR,6S,7aR)-3a-methyl-2-((perfluorophenyl)thio)-6-(prop-1-en-2-yl)hexahydrobenzo[d][1,3,2]oxathiaphosphole 2-sulfide
1,3,2-Benzoxathiaphosphole, hexahydro-3a-methyl-6-(1-methylethenyl)-2-[(2,3,4,5,6-pentafluorophenyl)thio]-, 2-sulfide, (2R,3aR,6S,7aR)-
[Molecular Formula]

C16H16F5OPS3
[MOL File]

2245335-71-9.mol
[Molecular Weight]

446.46
Chemical PropertiesBack Directory
[Melting point ]

102-107 °C
[Boiling point ]

423.5±55.0 °C(Predicted)
[density ]

1.46±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C, stored under nitrogen
[form ]

powder or crystals
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C16H16F5OPS3/c1-7(2)8-4-5-16(3)9(6-8)22-23(24,26-16)25-15-13(20)11(18)10(17)12(19)14(15)21/h8-9H,1,4-6H2,2-3H3/t8-,9+,16+,23-/m0/s1
[InChIKey]

YPYCUYPOHPPYAS-WHJDOBIZSA-N
[SMILES]

O1[C@]2([H])C[C@@H](C(C)=C)CC[C@@]2(C)S[P@@]1(=S)SC1=C(F)C(F)=C(F)C(F)=C1F
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Air- and moisture-tolerant, this (+)-PSI Reagent was developed in the Baran lab for stereocontrolled synthesis of phosphorothioate oligonucleotides. The enantiomer, (?)-PSI Reagent, is also available (cat# ALD00602).
The PSI Reagents open access to thiophosphate-based nucleotide molecules with therapeutic promise as demonstrated by the Baran lab in the preparation of pure stereoisomers of cyclic dinucleotides (CDNs) and antisense oligonucleotides (ASOs).
Spectrum DetailBack Directory
[Spectrum Detail]

1,3,2-Benzoxathiaphosphole, hexahydro-3a-methyl-6-(1-methylethenyl)-2-[(2,3,4,5,6-pentafluorophenyl)thio]-, 2-sulfide, (2R,3aR,6S,7aR)-(2245335-71-9)1HNMR
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