Organic Letters
Letter
not hinder the smooth progress of the transformation.
Subsequently, when R-54a (99% ee) was allowed to react
with TMSCN under standard conditions, racemic product 54c
was observed in 82% yield (Scheme 4II). When removing
cyano reagents from standard conditions, α,β-unsaturated
imines 1d was generated from the self-coupling of 1a (Scheme
4III). On the basis of these investigations, we have
hypothesized that the imine species may be an intermediate
in the process. To further confirm this conclusion, imine 1e
was applied to our conditions (Scheme 4IV). And we indeed
detected the corresponding product with 34% using Et3N·3HF
as base. In addition, when employing N-chloro amide 1f
instead of 1a, no α-amino nitrile was detected, and 1g was
isolated with 56% yield (Scheme 4V). These observations
show that the fluorine atom was an important driving force for
this C−H cyanation. In view of the above results and previous
works,26,27 we propose a possible experimental mechanism
(Scheme 4VI). An imine intermediate was generated from N-
fluorotosylamide through a base-assisted HF elimination.
Subsequently, this imine was attacked by TMSCN, which
was simultaneously activated by the formed HF species,
offering the corresponding product. To further confirm the
practicality of this method, a facile deprotection process of α-
amino nitriles bearing mesitylenesulfonyl group (55c) was
In summary, we have developed an effective and metal-free
system, which is capable of achieving α-C−H bonds
dehydrocyanation of aliphatic amides under mild condition,
providing a broad scope of α-amino nitriles with an all-carbon
quaternary stereocenter. We also illustrated that sulfonamides
derived from complex molecules can be applied to carry out
Cα−H cyanations with good yields. Given how widespread the
cyano group are in chemicals, we anticipate that this
methodology will simplify the synthesis elaboration of α-
amino nitriles for research in chemistry, medicine, and biology,
and open up new frontiers in metal-free C−H functionalization
of amides.
Scheme 3. Late-Stage Functionalizations
a
Reaction conditions: A mixture of N-fluorotosylamides a (0.20
mmol), TMSCN 1b (0.30 mmol), and Et3N (0.3 mmol) in toluene (1
mL) was stirred for 24 h at 40 °C under Ar, isolated yield after
b
chromatography. A mixture of N-fluorotosylamides a (0.20 mmol),
TMSCN 1b (0.50 mmol), and Et3N (0.3 mmol) in MeCN (1 mL)
was stirred for 24 h at 60 °C under Ar, isolated yield after
c
chromatography. Using 2.5 equiv of TMSCN, the reaction was
carried out in MeCN (1 mL) for 24 h at 80 °C.
reaction was carried out in the presence of 1.0 equiv of
TEMPO or BHT (Scheme 4I). These radical inhibitors did
Scheme 4. Mechanistic Experiments
ASSOCIATED CONTENT
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* Supporting Information
The Supporting Information is available free of charge at
Experimental procedures, characterization data, and
Accession Codes
CCDC 2059493 contains the supplementary crystallographic
data for this paper. These data can be obtained free of charge
bridge Crystallographic Data Centre, 12 Union Road,
Cambridge CB2 1EZ, UK; fax: +44 1223 336033.
AUTHOR INFORMATION
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Corresponding Authors
Jiefeng Hu − Institute of Advanced Synthesis, School of
Chemistry and Molecular Engineering, Jiangsu National
Synergetic Innovation Center for Advanced Materials,
Nanjing Tech University, Nanjing 211816, China;
4020
Org. Lett. 2021, 23, 4018−4022