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What is the Heck Cross-Coupling?

The Heck reaction couples an aryl or vinyl halide with an alkene to give a new, substituted alkene β€” without needing a preformed organometallic coupling partner on the alkene side, which sets it apart mechanistically from Suzuki, Negishi, Stille, Kumada, and Hiyama coupling. The alkene itself is the nucleophile, inserting directly into the Pd–aryl bond.

The reaction typically delivers the (E)-alkene with high selectivity, since migratory insertion and the subsequent syn Ξ²-hydride elimination proceed through well-defined stereochemical pathways. Richard Heck shared the 2010 Nobel Prize in Chemistry with Ei-ichi Negishi and Akira Suzuki for this and related palladium-catalyzed coupling chemistry.

Reaction schemes

Heck Cross-Coupling β€” general reaction scheme
Heck Cross-Coupling β€” general reaction scheme
Heck Cross-Coupling β€” catalytic cycle mechanism
Heck Cross-Coupling β€” catalytic cycle mechanism

Catalytic cycle

Step 1

Oxidative addition

Pd(0) inserts into the Ar–X bond of the aryl or vinyl halide.

Step 2

Migratory insertion

The alkene coordinates to palladium and inserts into the Pd–Ar bond (syn addition).

Step 3

Ξ²-Hydride elimination

A Ξ²-hydrogen is eliminated to release the new alkene product and an H–Pd–X species; base regenerates Pd(0) for the next cycle.

Applications

Worked examples

Every example below β€” reagents, conditions, and literature source β€” is reproduced from Cross-Coupling Reactions: Mechanisms and Examples by Marcos San Segundo, PhD.

Example 1

Intramolecular Heck reaction.

Scheme for Intramolecular Heck reaction. β€” Heck Cross-Coupling
Ref. [1]
Example 2

Heck reaction from an aryl chloride.

Scheme for Heck reaction from an aryl chloride. β€” Heck Cross-Coupling
Ref. [2]
Example 3

Heck reaction from an aryl bromide.

Scheme for Heck reaction from an aryl bromide. β€” Heck Cross-Coupling
Ref. [3]
Example 4

Intramolecular Heck reaction.

Scheme for Intramolecular Heck reaction. β€” Heck Cross-Coupling
Example 5

Intramolecular heck coupling for synthesis of cycloclavine.

Scheme for Intramolecular heck coupling for synthesis of cycloclavine. β€” Heck Cross-Coupling
Ref. [4]
Example 6

Intramolecular Heck coupling for the synthesis of nannocystin A.

Scheme for Intramolecular Heck coupling for the synthesis of nannocystin A. β€” Heck Cross-Coupling
Ref. [5]
Cross-Coupling Reactions: Mechanisms and Examples book cover
Textbook Β· Organic Chemistry

Cross-Coupling Reactions: Mechanisms and Examples

This page covers the Heck Cross-Coupling β€” one of 21 named reactions in the book, each with its full catalytic cycle and every worked example shown here, drawn straight from the primary literature.

Get the book on Amazon β†’ Free sample chapter

References

[1]
Rawal V. H.; Iwasa, H. J. Org. Chem. 1994, 59, 2685.
[2]
Littke, A. F.; Fu, G. C. J. Org. Chem. 1999, 64, 10.
[3]
Yang, C.; Man Lee, H.; Nolan, S. P. Org. Lett. 2001, 3, 1511.
[4]
Wang, W.; Lu, J.-T.; Zhang, H.; Shi, Z.; Wen, J.; Cao, X.-P. J. Org. Chem. 2014, 79, 122.
[5]
Yang, Z.; Xu, X.; Yang, C. H.; Tian, Y.; Chen, X.; Lian, L.; Pan, W.; Su, X.; Zhang, W.; Chen, Y. Org. Lett. 2016, 18, 5768.

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