(5aR,10bS)-2-Phenyl-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-iumtetrafluoroborate

Name: (5aR,10bS)-2-Phenyl-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-iumtetrafluoroborate
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CAS No. 925706-36-1
Cat. No. CS-0087158
Purity≥97%
MDL No.None

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(5aR,10bS)-2-Phenyl-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-iumtetrafluoroborate|CS-0087158

Structure of 925706-36-1

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General Information

CAS No. 925706-36-1
Cat. No. CS-0087158
Purity ≥97%
MDL No. None
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₈H₁₆BF₄N₃O
Molecular Weight 377.14
Synonym(s) (5aR,10bS)-5a,10b-dihydro-2-phenyl-4H,6H-Indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium tetrafluoroborate
SMILES [H][C@]12[C@](N3C(CO2)=N[N+](C4=CC=CC=C4)=C3)([H])C5=C(C=CC=C5)C1.FB(F)F.[F-]

Description

This bench-stable, moisture-tolerant heterocyclic salt features a rigid fused triazolo-oxazine core with a phenyl substituent at the 2-position. The positively charged nitrogen framework pairs with tetrafluoroborate anions to deliver enhanced solubility and reactivity in synthetic transformations.

Application

(5aR,10bS)-2-Phenyl-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium tetrafluoroborate serves as a stable, bench-accessible heterocyclic building block for medicinal chemistry and catalytic synthesis. Its fused tricyclic core exhibits robust functional group tolerance and facilitates direct electrophilic substitution or transition-metal-catalyzed coupling reactions. The tetrafluoroborate counterion enhances solubility and stability, enabling straightforward purification and integration into complex molecular architectures.

Safety Information

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GHS Pictogram :	GHS No : GHS05,GHS09
Signal Word : Danger	UN#: 3077
Class : 9	Packing Group : Ⅲ
Hazard Statements : H314-H410
Precautionary Statements : P273-P280-P501

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Computational Chemistry Data

TPSA 30.93
LogP 0.0879
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

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(5aR,10bS)-2-Phenyl-5a,10b-dihydro-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-iumtetrafluoroborate

CAS No. 925706-36-1

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