524
NURKENOV et al.
1
propanol). H NMR spectrum, δ, ppm (J, Hz): 2.55 t
[4H, N(CH2)2, J = 4.3], 3.32 br.s (2H, NCH2), 3.63 t
[4H, O(CH2)2, J = 4.6], 7.66 m (5H, Ar), 10.7 ush.s.
(1H, NHNC=O); 11.8 s (1H, NHNC = O); 12.7 br.s
[1H, C(O)NNC=S]. Mass spectrum, m/z, (Irel, %): 322
[M]+ (2), 105 (76), 100 (100), 77 (66.8) 56 (32.5), 51
(33.9), 42 ( 28.4).
Fig. 2. Spatial arrangement of molecule VII.
4-Bromo-N-[2-(2-morpholinoacetyl)hydrazinocar-
bonothioyl]benzamide (IV) was synthesized similarly
to compound III from 2.41 g (0.011 mol) 4-bromo-
benzoyl chloride, 1.07 g (0.011 mol) of potassium
thesis and refined in the isotropic approximation. In
the calculations 2306 and 3447 reflections were used
for II and VII, respectively, with I ≥ 2σ(I). The final
divergence factors R1 = 0.0638, WR2 = 0.1999 for II
and R1 = 0.0731, WR2 = 0.2122 for VII. The structure
was solved and refined using the SHELXS-97 and
SHELXL-97 software [10]. The CIF-files of the
atomic coordinates are deposited at the Cambridge
Crystallographic Center Database, (CCCD 853 555)
and (CCCD 861 096) for II and VII, respectively.
thiocyanate, and 1.59
g (0.01 mol) of mor-
pholinylacetic acid hydrazide I. 9.2 g (52.3%) of white
crystalline substance was isolated, mp 229–230°C (2-
1
propanol). H NMR spectrum, δ, ppm (J, Hz): 2.55 t
[4H, N(CH2)2, J = 4.2], 3.30 br.s (2H, NCH2), 3.63 t
[4H, O(CH2)2, J = 4.5], 7.74 d, 7.89 d (4H, ArBr, J =
8.55), 10.65 br.s. (1H, NHNC=O); 11.85 s (1H,
NHNC=O); 12.60 br.s [1H, C(O)NHNC=S]. Mass
spectrum, m/z, (Irel,%): 402 [M]+ (4), 400 [M]+ (4), 100
(100), 56 (19), 42 (14.7).
N-Morpholinylacetic acid N-allylthiosemicar-
bazide (II). 1.59 g (0.01 mol) of N-morpholinylacetic
acid hydrazide was dissolved in ethanol, and then 0.9 g
(0.011 mol) of allyl isothiocyanate was added
dropwise. The mixture was stirred for 60 min at 50–
60°C. The completion of the reaction was controlled
by TLC. The solution was cooled, the crystalline
precipitate was filtered off and washed with a small
amount of cold ethanol. After recrystallization from
benzene we isolated 1.91 g (74%) of compound II, mp
137–138°C. A crystal of compound II for XRD studies
was obtained by natural evaporation of a saturated
alcoholic solution of the compound. Mass spectrum,
m/z, (Irel, %): 258 [M]+ (0.2), 115 (26.7), 100 (100), 56
(39.5) 41 (34.3).
N-Morpholinylacetic acid N-thiosemicarbazide
(V). A mixture of 1.59 g (0.01 mol) of N-mor-
pholinylacetic acid hydrazide, 1.4 g (0.015 mol) of
potassium thiocyanate, and 1.5 ml of conc.
hydrochloric acid in 40 ml of water was heated with
stirring for 4 h at 95°C. The reaction mixture was left
to stand for 24 h at room temperature. The solution
was then alkalinized to pH = 6–7, the precipitate
formed was filtered off and washed with water. After
recrystallization from isopropyl alcohol we isolated
1.24 g (57%) of morpholinylacetic acid N-thio-
1
semicarbazide V, mp 203–204°C. H NMR spectrum,
δ, ppm (J, Hz): 2.44 br.s [4H, N(CH2)2], 3.0 (2H,
NCH2), 3.58 t [4H, O(CH2)2, J = 4.5], 7.37 s, 7.85 s
[2H, H2NC(S)], 9.13 s [1H, C(O)NHNH], 9.68 s [1H,
C(O)NHNH]. Mass spectrum, m/z (Irel, %): 218 [M]+
(12.9), 100 (100), 70 (27.8) 60 (40.45), 56 (50), 43
(42.8), 42 ( 52.1), 41 (24.6).
N-[2-(2-Morpholinoacetyl)hydrazinocarbonothioyl]-
benzamide (III). To a solution of 1.55 g (0.011 mol)
of benzoyl chloride in 15 ml of acetone while stirring
with a magnetic stirrer was added 1.07 g (0.011 mol)
of potassium thiocyanate. The mixture was stirred for
2 h at room temperature and for half an hour under
reflux. The solution was filtered from the precipitated
KCl through a double paper filter, washed several
times with acetone, and then 1.59 g (0.01 mol) of
morpholinylacetic acid hydrazide I in 10 ml of water-
free isopropyl alcohol was added dropwise to the
solution. Further stirring was continued at 60°C for
3 h, and the solvent was distilled off. The residue
crystallizes upon cooling. 1.91 g (59.5%) of white
crystalline substance was isolated, mp 186–187°C (2-
Potassium N'-(2-morpholin-4-ylacetyl)hydrazino-
carbothionate (VI). A mixture of 1.59 g (0.01 mol) of
morpholinylacetic acid hydrazide I and 0.84 g
(0.015 mol) of potassium hydroxide were dissolved in
15 ml of water-free ethanol and 1.52 g (0.02 mol) of
carbon disulfide was added dropwise with cooling. The
reaction mixture was stirred for 2–3 h. The precipitated
powder product was filtered off and washed several
times with anhydrous diethyl ether. 2.27 g (83%) was
obtained, mp 212–214°С.
RUSSIAN JOURNAL OF GENERAL CHEMISTRY Vol. 83 No. 3 2013