Clues from an ionic cocrystal structure: from catalysis to mechanochemistry.

Area of Science:

• Crystallography
• Organic Chemistry
• Catalysis

Background:

• Crystal structures are dynamic, reflecting crystallization pathways.
• Ionic cocrystal structures offer insights into chemical processes.
• N-acylation of amines is a key organic transformation.

Purpose of the Study:

• To develop an in situ acetic acid-based catalytic protocol for N-acylation of amines using ester sources.
• To explore the extension of this catalytic approach to mechanochemistry.
• To demonstrate the broader applicability of crystal structure insights in catalysis and mechanosynthesis.

Main Methods:

• Utilizing insights from a previously reported ionic cocrystal structure.
• Developing an in situ acetic acid-based catalytic protocol.
• Applying the protocol to N-acylation of amines with ester sources.
• Extending the methodology to a mechanochemical multicomponent reaction.

Main Results:

• Achieved improved catalytic efficiency for N-acylation reactions.
• Successfully extended the in situ approach to a mechanochemistry protocol.
• Demonstrated the utility of crystal structure-derived methods in catalysis and mechanosynthesis.

Conclusions:

• Crystal structures provide valuable information beyond structural chemistry, applicable to catalysis.
• The developed in situ catalytic protocol offers enhanced efficiency.
• The methodology is adaptable to mechanochemical multicomponent reactions, highlighting broader applications.