Journal of the American Chemical Society
Communication
HAT catalyst. While light and formate were critical to
substrate conversion under these conditions (see the
was observed when thiyl generation was performed via
photolysis of dimethyl disulfide (no photoredox catalyst) or
with thiol and persulfate (20 mol %) at 100 °C. However,
because trace amounts of thiol impurities that are present in
DMSO19−21 are capable of promoting this reaction,
mechanistic experiments were conducted with freshly purified
DMSO (however, solvent from particularly old bottles was
capable of promoting this reactivity without added thiol
cocatalyst). We found the quantum yield (Φ) of the reaction
under our standard conditions (P1, mesna) to be 2.63, which
strongly indicates radical chain character. Using transient
details), we determined the rate of thiyl formation under the
standard (photoredox initiation) conditions (4.0 × 103 M−1·
s−1) as well as the quantum yield of the triplet excited state
(Φ = 0.0072). These rates indicate the average radical chain
length to be greater than or equal to 365 (standard
conditions).
•−
With the understanding that CO2 can be accessed under
mild conditions, we sought to utilize this radical chain
reduction in other valuable synthetic processes. First, we
considered the intermolecular coupling of aryl radical species
with unactivated olefins (radical hydroarylation). As shown in
Table 1, reaction of 4-chlorobenzonitrile (Ep/2 = −2.1 V vs
SCE)18 with 1-octene afforded alkylation product 1 in 66%
yield with photoredox initiation. Though slightly less efficient
for intermolecular radical coupling, alternative initiation
systems also promoted the desired reactivity (disulfide: 50%
yield, persulfate: 42% yield). We reported a number of radical
hydroarylation systems;22−24 however, these conditions are
unique in that they allow for direct coupling of benzene-
derived radicals with unactivated olefins. Moreover, this
process operates without the need for directing groups on
either reaction component. Monosubstituted alkenes bearing
alcohol and alkyl chloride functional groups reacted to give
alkylated products 2 and 3 in 46 and 85% yield, respectively,
where the remaining material was direct arene reduction. The
more electron-rich olefins 2-methyl-2-butene and isopropenyl
acetate also underwent smooth hydroarylation to yield 4
(66%) and 5 (81%). Evaluation of the aryl radical scope with
1-octene revealed that a number of electron-poor aryl and
heteroaryl chlorides can be engaged under this protocol (6−
14, 32−80% yield), though hydroarylation with ortho-
chloromethylbenzoate was less effective (10, 32% yield). In
addition, aryl radical coupling reactions employing bromo-
benzene, 4-chlorobenzonitrile, and 2-bromothiazole all
smoothly engaged tert-butylvinyl carbamate (3 equiv) to
afford the corresponding phenethylamines (15−17, 74−98%
yield). Here, reductive activation of aryl halide substrates can
be reliably predicted by reduction potential; reduction occurs
smoothly with substrates whose reduction potentials lie
•−
Figure 1. Novel approach to SET through reactivity of CO2
.
tion of a photoredox catalyst and visible light. In addition,
chain initiation can be easily conducted by other means. For
example, direct photolysis of disulfides or thermal decom-
position of persulfate (in the presence of catalytic thiol) are
equally effective.
To interrogate this proposal, we considered the reductive
dechlorination of methyl-2-chloro benzoate (Figure 2C).
Subjecting this aryl chloride to sodium formate (5 equiv) in
the presence of different combinations of photoredox
catalysts and HAT catalysts resulted in radical hydro-
dechlorination. With mesna (an inexpensive and odorless
alkyl thiol), a range of photoredox catalysts accomplished this
transformation in nearly quantitative yield (as determined by
1H NMR). These data illustrate the value of this radical chain
•−
•−
within the range of CO2 (i.e., less negative than −2.1 V
approach; while SET from CO2 to substrate would be
vs SCE). Substrates with E1/2° ≤ −2.1 V vs SCE (e.g.,
electron-rich aryl chlorides, ketones, amides, nitriles,
sulfonamides, phosphonates) are well-tolerated under these
conditions.
To further illustrate the value of this radical chain, we
applied it to the reduction of other challenging substrates.
For example, aryl trimethylammonium salts have been
demonstrated as electrophilic coupling partners25 that also
expected to occur with ease (based on reduction potential),
SET from these photocatalysts would be highly unfavored.
Indicated in Figure 2C are the most strongly reducing states
(ground state radical anions, given by reductive quenching),
which are at least ca. 600 mV more positive than that of the
chloride (−2.1 V vs SCE).18 A range of thiols were found to
perform this reaction, as was DABCO (albeit to a lesser
extent), and no conversion was observed in the absence of
8988
J. Am. Chem. Soc. 2021, 143, 8987−8992