Allylboration/Defluorinative Semipinacol Rearrangement Cascade Reaction Data

Ty Dudas published experimental and computational data on allylboration reactions using (3-fluoroallyl)boronates on figshare in June 2026. The dataset, sized at 222.9 KB, captures a cascade process enabling concurrent C–C bond formation and C–F bond activation. Computational analysis clarifies the electronic factors governing the observed migratory aptitude trends.

Use Cases

• Training ML models to predict migratory aptitude trends based on electronic factors mentioned in the description
• Benchmarking computational chemistry methods against experimental reaction selectivity data
• Analyzing the relationship between carbonyl substrate tolerance and product yield

Strengths

• Dataset includes computational analysis providing mechanistic insight
• The transformation is described as proceeding with high selectivity for aryl migration
• File size is precisely 222.9 KB

Limitations

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

Provenance

Source

Ty Dudas via figshare

Collection Method

Experimental and computational investigation

Freshness

Last updated 2026-06-03 04:15:50