BIOACTIVE 4H-1,4-BENZOTHIAZINE AND THEIR SULFONE DERIVATIVES
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Table 4 1H NMR and 13C NMR spectral data of 4H-1,4-benzothiazines 4a–i
1H NMR (DMSO-d6, 300 MHz), δ
Comp. No.
ppm
13C NMR (CDCl3, 300 MHz), δ ppm
4a
8.50 (s, >NH), 7.72–7.01 (m, J =
8.58 Hz, Ar-H), 2.34 (s, -CH3
proton at C3)
8.61 (s, >NH), 7.60–6.98 (m, J =
8.61 Hz, Ar-H), 2.40 (s, -CH3
proton at C3)
8.71 (s, >NH), 7.80–7.25 (m, J =
8.60 Hz, Ar-H), 2.38 (s, -CH3
proton at C3), 3.81 (s, OCH3
protons at ortho-position in
benzoyal side chain at C2), 3.85 (s,
OCH3 protons at para-position in
benzoyal side chain at C2)
9.01 (s, >NH), 7.25–6.98 (m, J =
8.57 Hz, Ar-H), 2.52 (s, -CH3
protons at C3)
113.1 (C-2), 138.2 (C-3), 148.8 (C-5), 112.7 (C-6),
120.9 (C-7), 126.1 (C-8), 187.7 (C of CO at C2),
128.2–136.5 (C of C6H4Br at C2), 16.9 (CH3 at C3)
113.6 (C-2), 138.4 (C-3), 148.5 (C-5), 113.2 (C-6),
120.2 (C-7), 125.9 (C-8), 187.3 (C of CO at C2),
116.4–165.5 (C of C6H4F at C2), 16.2 (CH3 at C3)
113.3 (C-2), 138.9 (C-3), 150.4 (C-5), 113.8 (C-6),
120.4 (C-7), 125.8 (C-8), 186.8 (C of CO at C2), 58.4
(C of OCH3 of –COC6H3 (OCH3)2 (o,p) at C2), 15.8
(CH3 at C3)
4b
4c
4d
4e
4f
114.2 (C-2), 135.8 (C-3), 148.4 (C-5), 112.6 (C-6),
121.2 (C-7), 124.9 (C-8), 188.8 (C of CO at C2),
129.2 (CF3 at C2), 16.8 (CH3 at C3)
8.25 (s, >NH), 8.02–7.10 (m, J =
8.55 Hz, Ar-H), 2.28 (s, -CH3
protons at C3)
113.2 (C-2), 139.4 (C-3), 150.5 (C-5), 112.4 (C-6),
121.4 (C-7), 125.9 (C-8), 188.6 (C of CO at C2),
128.4–135.9 (C of C6H5 at C2), 17.0 (CH3 at C3)
116.9 (C-2), 136.1 (C-3), 136.0 (C-5), 124.4 (C-6),
118.9 (C-7), 128.6 (C-8), 195.8 (C of CO at C2),
129.2 (CF3 at C2), 16.8 (CH3 at C3), 23.2 (CH of
isopropyl group at C5), 25.3 (CH3 of isopropyl group
at C5)
8.89 (s, >NH), 7.80–7.60 (m, J =
8.53 Hz, Ar-H), 2.52 (s, -CH3
protons at C3), 2.22 (m, J =
5.2 Hz, C-H proton of isopropyl
group), 1.40 (d, J = 4.1 Hz, CH3
protons of isopropyl group)
8.20 (s, >NH), 7.75–7.20 (m, J =
8.55 Hz, Ar-H), 2.30 (s, -CH3
proton at C3), 3.82 (s, OCH3
protons of COC6H4 (OCH3) group
at C2), 2.21 (m, J = 6.3 Hz, C-H
proton of isopropyl group), 1.45
(d, J = 4.4 Hz, CH3 protons of
isopropyl group)
4g
114.2 (C-2), 139.2 (C-3), 135.8 (C-5), 124.5 (C-6),
117.9 (C-7), 128.1 (C-8), 188.5 (C of CO at C2),
115.2–162.3 (C of C6H5 at C2), 55.2 (C of OCH3 of
–COC6H4 (OCH3) (o) at C2) 16.9 (CH3 at C3), 22.9
(CH of isopropyl group at C5), 25.2 (CH3 of
isopropyl group at C5)
4h
4i
8.10 (s, >NH), 7.80–7.75 (m, J =
8.51 Hz, Ar-H), 2.25 (m, J =
5.3 Hz, C-H proton of isopropyl
group), 1.42 (d, J = 4.5 Hz, CH3
protons of isopropyl group)
7.92 (s, >NH), 7.80–7.17 (m, J =
8.60 Hz,Ar-H)
110.2 (C-2), 142.4 (C-3), 116.2 (C-5), 123.2 (C-6),
138.5 (C-7), 128.1 (C-8), 188.2 (C of CO at C2),
126.9–137.2 (C of C6H5 at C2), 126.4–135.5 (C of
C6H5 at C3), 32.2 (CH of isopropyl group at C7),
25.2 (CH3 of isopropyl group at C7)
108.6 (C-2), 142.1 (C-3), 148.8 (C-5), 113.6 (C-6),
121.0 (C-7), 125.9 (C-8), 187.4 (C of CO at C2),
126.7–136.9 (C of C6H5 at C2), 126.9–134.2 (C of
C6H5 at C3)
Figure S1 (Supplemental Materials are available online) contains the 13C NMR spectrum
of 4a as a representative example.
13C NMR spectra of the synthesized 4H-1,4-benzothiazines 4a–i and their sulfones
5a–i are given in Tables 4 and 5, respectively.