(5aS, 10bR)-(-)-5a,10b-Dihydro-2-(pentafluorophenyl)-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium tetrafluoroborate, min. 98%

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Catalog Number
ACM740816142
Product Name
(5aS, 10bR)-(-)-5a,10b-Dihydro-2-(pentafluorophenyl)-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium tetrafluoroborate, min. 98%
Structure
Structure
CAS
740816-14-2
Category
Heterocyclic Organic Compound
Synonyms
740816-14-2;(5aS, 10bR)-(-)-5a,10b-Dihydro-2-(pentafluorophenyl)-4H,6H-indeno[2,1-b][1,2,4]trizolo[4,3-d][1,4]oxazinium tetrafluoroborate;2-Pentafluorophenyl-6.10b-dihydro-4H,5aH-5-oxo-3,10c-diaza-2-azoniacyclopenta[c]fluorene tetrafluoroborate;DTXSID90458197;MFCD08459334;(5aS, 10bR)-(-)-5a,10b-Dihydro-2-(pentafluorophenyl)-4H,6H-indeno[2,1-b][1,2,4]trizolo[4,3-d][1,4]oxazinium BF4;5a(S),10b(R)-5a,10b-Dihydro-2-(pentafluorophenyl)-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium tetrafluoroborate;
IUPAC Name
(1R,9S)-4-(2,3,4,5,6-pentafluorophenyl)-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene;tetrafluoroborate;
Molecular Weight
467.102g/mol
Molecular Formula
C18H11BF9N3O;
Canonical SMILES
[B-](F)(F)(F)F.C1C2C(C3=CC=CC=C31)[N+]4=CN(N=C4CO2)C5=C(C(=C(C(=C5F)F)F)F)F;
InChI
InChI=1S/C18H11F5N3O.BF4/c19-12-13(20)15(22)18(16(23)14(12)21)26-7-25-11(24-26)6-27-10-5-8-3-1-2-4-9(8)17(10)25;2-1(3,4)5/h1-4,7,10,17H,5-6H2;/q+1;-1/t10-,17+;/m0./s1;
InChI Key
CPCMDOOTVHDRTM-OUYNRQGDSA-N;
Application
Reagent used in the highly enantioand diastereoselective, catalytic intramolecular Stetter reaction.

Direct synthesis of α-protio and α-deuterio α-chloro and α-fluoro carboxylic acids via assymetric hydration.

Chemoselective conversion of α-unbranched aldehydes to amides.
Storage
2-8°C
Complexity
576
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
2
Exact Mass
467.085g/mol
H-Bond Acceptor
12
Heavy Atom Count
32
Monoisotopic Mass
467.085g/mol
Rotatable Bond Count
1
Topological Polar Surface Area
30.9A^2
Please kindly note that our products are for research use only.

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