3',6'-Dichlorospiro[benzo[c][1,2]oxathiole-3,9'-xanthene] 1,1-dioxide

Name: 3',6'-Dichlorospiro[benzo[c][1,2]oxathiole-3,9'-xanthene] 1,1-dioxide
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CAS No. 77545-45-0
Cat. No. CS-0676403
Purity≥97%
MDL No.None

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3',6'-Dichlorospiro[benzo[c][1,2]oxathiole-3,9'-xanthene] 1,1-dioxide|CS-0676403

Structure of 77545-45-0

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General Information

CAS No. 77545-45-0
Cat. No. CS-0676403
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₉H₁₀Cl₂O₄S
Molecular Weight 405.25
Synonym(s) None
SMILES O=S1(OC2(C3=C1C=CC=C3)C4=CC=C(C=C4OC5=CC(Cl)=CC=C52)Cl)=O

Description

This spirocyclic xanthene derivative features two chlorine substituents at the 3' and 6' positions, enhancing electron-withdrawing character and steric bulk. The sulfone-containing spiro junction confers rigidity and improved stability, while the benzo-bridged oxathiole moiety enables unique photophysical behavior. Designed for advanced synthetic applications in organic electronics and fluorescent probe development.

Application

3',6'-Dichlorospiro[benzo[c][1,2]oxathiole-3,9'-xanthene] 1,1-dioxide serves as a stable, bench-ready spirocyclic scaffold with orthogonal functionalization potential. The dichloro substitution pattern enables selective late-stage derivatization, while the xanthene and oxathiole moieties provide rigidity and polar character suitable for medicinal chemistry libraries. Its stability under standard synthetic conditions facilitates purification and integration into multi-step sequences.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

TPSA 52.6
LogP 5.1099
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Sulfonate

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Pyran compounds

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3',6'-Dichlorospiro[benzo[c][1,2]oxathiole-3,9'-xanthene] 1,1-dioxide

CAS No. 77545-45-0

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