Skip to main content
. Author manuscript; available in PMC: 2014 Sep 26.
Published in final edited form as: Org Lett. 2010 Jan 1;12(1):96–99. doi: 10.1021/ol902415s

Table 3.

ΔG Values in kcal/mol for the Reaction of Benzofurans and -Thiophenes with Substituted Furans

graphic file with name nihms577684u4.jpg
entry aryne, X furan, R ΔG (a) ΔG (b)
1 27, O H 9.2
2 28, O H 9.1
3 29, O H 7.3
4 27, O t-Bu 4.9 6.4
5 28, O t-Bu 5.8 4.9
6 29, O t-Bu 6.2 a
7 27, S H 9.6
8 28, S H 8.9
9 29, S H 8.4
10 27, S t-Bu 5.4 6.5
11 28, S t-Bu 5.5 4.8
12 29, S t-Bu 5.8 a
a

No barrier to reaction is predicted in the gas phase or continuum solution.