Gallium/Indium-Promoted [4 + 2] Annulation of 2‑Aminobenzonitriles with Alkynes and Dimeri

1.8 MB of crystallographic information files (CIF) from a study on Lewis acid-promoted cycloaddition reactions. The data, authored by Norio Sakai and last updated in May 2026, details the synthesis of 4-amino-2-substituted quinolines and 4-amino-2-arylquinazoline derivatives from 2-aminobenzonitriles and alkynes.

Use Cases

• Training molecular property prediction models based on synthesized compound structures.
• Benchmarking computational chemistry simulations against experimental crystallographic data.
• Analyzing structure-activity relationships for aminoquinoline derivatives mentioned in the description.

Strengths

• Data is provided in the standardized CIF format, suitable for computational analysis.
• The description specifies moderate to good yields for the reported synthetic methods.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.

Provenance

Source

figshare

Collection Method

Experimental data from chemical synthesis and crystallography.

Freshness

Last updated 2026-05-28 09:03:57; freshness should be verified.