IP Library Granted Patent US 10,072,028
Granted Patent B2
US 10,072,028 · App. 15/034,102 · Granted Sep 11, 2018

Cross-coupling of unactivated secondary boronic acids

Inventors: Martin D. Burke (Champaign, IL); Pulin Wang (Austin, TX); Ian Crouch (Urbana, IL)
Assignee: The Board of Trustees of the University of Illinois
C07F5/025C07B37/04C07C1/321C07C67/343C07B2200/07C07C2523/50C07C2531/24C07C2601/02C07C2601/04C07C2601/08C07C2601/14C07C2601/16C07C2602/10
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Quick Facts
Patent No.
US 10,072,028
App. No.
15/034,102
Granted
Sep 11, 2018
Kind
B2
Abstract

Provided are methods for site- and stereo-retentive cross-couplings with unactivated secondary boronic acids, which methods are particularly useful in building block-based approach for small molecule synthesis. Also provided is a method of forming an air-stable chiral secondary boronic acid.

Claims (31)

1. A method of forming a chiral non-racemic secondary boronic acid, comprising:

combining a chiral compound of formula (I)

wherein, independently for each occurrence, R 1 and R 2 are selected from the group consisting of substituted C 1 -C 6 alkyl and unsubstituted C 1 -C 6 alkyl; a chiral iminodiacetic acid, wherein the chiral iminodiacetic acid is not a racemic mixture; pyridinium p-toluenesulfonate (PPTS); and a polar aprotic solvent, thereby forming a mixture of chiral boronates;

resolving the mixture of chiral boronates into individual diastereomers; and

hydrolyzing an individual diastereomer,

thereby forming the chiral non-racemic secondary boronic acid.

2. The method of claim 1 , wherein the hydrolyzing is with aqueous hydroxide.

3. The method of claim 1 , wherein the chiral iminodiacetic acid has an enantiomeric excess of at least 80 percent.

4. The method of claim 1 , wherein the chiral iminodiacetic acid is benzylcyclopentyl iminodiacetic acid (BIDA).

5. The method of claim 1 , wherein the chiral non-racemic secondary boronic acid has an enantiomeric excess of at least 80 percent.

6. The method of claim 1 , wherein the resolving is by crystallization.

7. The method of claim 1 , wherein the resolving is by chromatography.

8. The method of claim 1 , wherein the hydrolyzing is with aqueous NaOH.

9. The method of claim 1 , wherein the chiral iminodiacetic acid has an enantiomeric excess of at least 90 percent.

10. The method of claim 1 , wherein the chiral iminodiacetic acid has an enantiomeric excess of at least 95 percent.

11. The method of claim 1 , wherein the polar aprotic solvent is CH 3 CN.

12. The method of claim 1 , wherein the compound of formula (I) is a racemic mixture.

13. The method of claim 1 , wherein the compound of formula (I) is not a racemic mixture.

14. The method of claim 1 , wherein the chiral non-racemic secondary boronic acid has an enantiomeric excess of at least 90 percent.

15. The method of claim 1 , wherein the chiral non-racemic secondary boronic acid has an enantiomeric excess of at least 95 percent.

16. The method of claim 1 , wherein the chiral non-racemic secondary boronic acid has an enantiomeric excess of at least 80 percent; and the chiral iminodiacetic acid has an enantiomeric excess of at least 80 percent.

17. The method of claim 1 , wherein the chiral non-racemic secondary boronic acid has an enantiomeric excess of at least 90 percent; and the chiral iminodiacetic acid has an enantiomeric excess of at least 90 percent.

18. The method of claim 1 , wherein the chiral non-racemic secondary boronic acid has an enantiomeric excess of at least 95 percent; and the chiral iminodiacetic acid has an enantiomeric excess of at least 95 percent.

19. The method of claim 1 , wherein the chiral non-racemic secondary boronic acid has an enantiomeric excess of at least 80 percent; the chiral iminodiacetic acid has an enantiomeric excess of at least 80 percent; and the compound of formula (I) is a racemic mixture.

20. The method of claim 1 , wherein the chiral non-racemic secondary boronic acid has an enantiomeric excess of at least 90 percent; the chiral iminodiacetic acid has an enantiomeric excess of at least 90 percent; and the compound of formula (I) is a racemic mixture.

21. The method of claim 1 , wherein the chiral non-racemic secondary boronic acid has an enantiomeric excess of at least 95 percent; the chiral iminodiacetic acid has an enantiomeric excess of at least 95 percent; and the compound of formula (I) is a racemic mixture.

22. The method of claim 1 , wherein the chiral non-racemic secondary boronic acid has an enantiomeric excess of at least 95 percent; the chiral iminodiacetic acid has an enantiomeric excess of at least 95 percent; and the chiral iminodiacetic acid is benzylcyclopentyl iminodiacetic acid (BIDA).

23. The method of claim 1 , wherein the chiral non-racemic secondary boronic acid has an enantiomeric excess of at least 95 percent; the chiral iminodiacetic acid has an enantiomeric excess of at least 95 percent; the chiral iminodiacetic acid is benzylcyclopentyl iminodiacetic acid (BIDA); and the compound of formula (I) is a racemic mixture.

24. The method of claim 1 , wherein the chiral non-racemic secondary boronic acid has an enantiomeric excess of at least 95 percent; the chiral iminodiacetic acid has an enantiomeric excess of at least 95 percent; the chiral iminodiacetic acid is benzylcyclopentyl iminodiacetic acid (BIDA); the compound of formula (I) is a racemic mixture; and the hydrolyzing is with aqueous hydroxide.

25. The method of claim 1 , wherein the chiral non-racemic secondary boronic acid has an enantiomeric excess of at least 95 percent; the chiral iminodiacetic acid has an enantiomeric excess of at least 95 percent; the chiral iminodiacetic acid is benzylcyclopentyl iminodiacetic acid (BIDA); the compound of formula (I) is a racemic mixture; and the hydrolyzing is with aqueous NaOH.

26. The method of claim 1 , wherein the chiral non-racemic secondary boronic acid has an enantiomeric excess of at least 95 percent; the chiral iminodiacetic acid has an enantiomeric excess of at least 95 percent; the chiral iminodiacetic acid is benzylcyclopentyl iminodiacetic acid (BIDA); the compound of formula (I) is a racemic mixture; the hydrolyzing is with aqueous NaOH; and the polar aprotic solvent is CH 3 CN.

Assignments (2)
ASSIGNMENT OF ASSIGNOR'S INTEREST Recorded May 15, 2018
From: BURKE, MARTIN D.; WANG, PULIN; CROUCH, IAN
To: THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS
Reel/Frame 045804/0665 →
CONFIRMATORY LICENSE Recorded Jul 26, 2016
From: UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN
To: NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT
Reel/Frame 039462/0221 →
Continuity (2)
Provisional Application 61899296 · Nov 3, 2013
Related Publication 20160280721A1 · Sep 29, 2016