Rhodium-Catalyzed Spirocyclization Reaction Data for Trifluoromethyl Compounds

Rh(III)-catalyzed C–H bond activation and spirocyclization of benzoxazines with CF3-imidoyl sulfoxonium ylides provides a direct avenue to structurally diverse trifluoromethyl-substituted spiroheterocycles. The dataset, authored by Qihua Chen and last updated in April 2026, describes a transformation involving a cascade C–H activation, tautomerization, and intramolecular nucleophilic addition pathway. A broad spectrum of spiroheterocycle molecules containing biologically important benzoxazine and isoquinoline skeletons are synthesized in up to 98% yields.

Use Cases

• Training models for predicting reaction yields based on described substrate combinations.
• Analyzing structure-activity relationships for trifluoromethyl-substituted spiroheterocycles.
• Benchmarking computational methods for C–H bond activation and spirocyclization pathways.
• Identifying novel synthetic routes for biologically relevant benzoxazine and isoquinoline skeletons.

Strengths

• Reaction yields reported up to 98%, indicating high efficiency for the described method.
• Synthesizes a broad spectrum of spiroheterocycle molecules with structural diversity.
• Dataset is 21.6 MB, suggesting a manageable size for download and analysis.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment for statistical modeling.
• Description metadata is limited; actual data quality requires manual inspection after download.

Provenance

Source

figshare

Collection Method

Likely contains experimental data from Rh(III)-catalyzed organic synthesis reactions.

Time Range

Publication date suggests data is contemporary, but specific temporal coverage is not stated.

Freshness

Last updated 2026-04-03 18:03:57; freshness should be verified.

Geography

Spatial coverage is not specified.