Amidation of Aldehydes and Alcohols and Synthesis of b-Mercaptoamides
Table 5. Survey of reaction conditions for the hydrolysis of b-thio-a-imi-
FULL PAPER
phatic amines (PhCH2CH2, cyclopropyl) and aniline
(Table 6, entry 12) were tolerated. With regard to the nature
of the nucleophiles, benzenethiol, as well as aliphatic thiols,
including ethanethiol, benzylthiol, and sterically hindered
tert-butylthiol, were well tolerated as reactants. Excellent
chemoselectivity was observed with 2-mercaptoethanol:
only thio-Michael addition was observed at the expense of
the alternative oxa-Michael addition reaction. When N-Boc-
l-cystein methyl ester was used as a thiol donor (Table 6,
entry 7), the desired compound was obtained in 70% yield
as a mixture of two diastereomers. The same experiment
was performed with N-Boc-d-cysteine methyl ester to afford
another pair of diastereomers. Supercritical fluid chromatog-
raphy (SFC) analysis with a chiral stationary phase (col-
nonitrile into b-mercaptocarboxamide.[a]
Entry
Al2O3 type
Al2O3 [g]
t [h]
Yield [%]
1
2
3
4
5
6
7
8
9
basic Brockmann III
acidic Brockmann III
neutral Brockmann I
neutral Brockmann II
neutral Brockmann III
neutral Brockmann IV
neutral Brockmann I
neutral Brockmann I
neutral Brockmann I
neutral Brockmann I
1.0
1.0
1.0
1.0
1.0
1.0
0.15
0.5
0.75
1
36
36
18
24
36
25
84
98
84
66
67
36
45
90
98
36
0.5
0.5
18
10
4[b]
AHCTUNGTREGuNNUN mn IA, 15% MeOH) allowed us to conclude that no race-
[a] Reaction conditions: compound 7a (0.1 mmol) in CH2Cl2; then, addi-
tion of alumina, followed by removal of the solvent at room temperature
under vacuum. The powder was kept at room temperature. [b] The reac-
tion was performed at 408C.
mization occurred during this reaction sequence. Finally, we
noted that different functional groups, such as carboxylic
ester, N-Boc (Boc=tert-butoxycarbonyl), O-TBDPS, and
even free hydroxy groups, were well tolerated under these
conditions.
the solvent to adsorb the compound onto alumina had to be
performed at room temperature to avoid degradation.
Based on these initial observations, a survey of the reaction
conditions was performed by varying the type of alumina
used, as well as quantity and reaction time. As shown in
Table 5, both acidic and neutral alumina materials were ef-
fective as adsorbents to promote the desired hydrolysis reac-
tion (Table 5, entries 2 and 3), with the latter type being su-
perior. Therefore, neutral alumina was used for further opti-
mization. The water content of alumina adsorbents affected
the efficiency of the reaction, with neutral Brokmann I
being the best (Table 5, entries 3–6). The quantity of alumi-
na also played an important role in this reaction. Overall,
the optimal conditions consisted of 1.0 g of neutral alumina
per 1.0 mmol of the substrate. We also noticed that, once b-
mercaptoamide 7a had been adsorbed onto alumina, it was
no longer vulnerable and, therefore, the mixture could be
heated at 408C to shorten the reaction time (Table 5,
entry 10).
One-pot synthesis of b-mercaptoamides from aldehydes and
amines: Having established conditions for the direct conver-
sion of aldehydes into amides and for the one-pot synthesis
of b-mercaptoamides from a,b-unsaturated a-iminonitriles,
we briefly examined the possibility of integrating these two
reactions into an one-pot process.[43]
Cinnamaldehyde (1) and phenethylamine (2) were used
as test substrates. Surprisingly, when the reaction was run in
CH3CN or CH2Cl2, which were the solvents of choice for
the individual reactions, the desired product was not ob-
served. However, to our delight, when the one-pot reaction
was run in toluene, b-mercaptoamides 7b and 7c were ob-
tained from cinnamaldehyde, phenethylamine, and benzene-
thiol or benzylthiol in 63% and 75% yield, respectively
(Scheme 3).
With conditions for the thio-Michael reaction and for the
hydrolysis of b-thio-a-iminonitriles into b-mercaptoamides
in hands, a sequential one-pot process was examined. After
completion of the YbACHTNUTRGNE(NUG OTf)3-catalyzed thiol-Michael addi-
tion between compounds 9a and 10a, type I neutral Brock-
mann alumina was added to the reaction mixture and the
volatile compounds were removed under reduced pressure.
The resulting powder was gently heated at 408C for 4 h and
then purified directly to afford b-mercaptoamide 7a in 98%
yield (Table 6, entry 1).
Scheme 3. One-pot synthesis of b-mercaptoamides from a,b-unsaturated
aldehydes, primary amines, and thiols.
Conclusion
Next, the scope of this one-pot thiol-Michael addition/hy-
drolysis sequence was examined by varying the structure of
the a,b-unsaturated aldehydes, amines, and thiols (Table 6).
Pleasingly, we found that b-aryl- and b-alkyl-substituted a,b-
unsaturated a-iminonitriles with different electronic proper-
ties (R1 =Ph, 4-methoxyphenyl, 4-nitrophenyl, 4-bromo-
phenyl, Me) were appropriate substrates for this reaction.
The amine moiety could also be varied because both ali-
In summary, we have developed an unprecedented alumina-
mediated hydrolysis of a-iminonitriles to afford amides. By
combining this reaction with the TMSCN-mediated three-
component oxidative Strecker reaction that we have devel-
oped previously, procedures for the direct amidation of alde-
hydes and alcohols have been developed. We have also re-
ported the first examples of the Yb
ACHTUNGRTEN(NUNG OTf)3-catalyzed Michael
addition of thiols to a,b-unsaturated a-iminonitriles, thereby
Chem. Eur. J. 2012, 00, 0 – 0
ꢁ 2012 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
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