Heterocyclic Containing Benzoxazole Moiety
1315
3-aminothiophene 4a and thiazole 7 (Scheme 1). Structure 7 was eluci-
dated by elemental analysis and spectral data. Thus, 1H NMR spectrum
of 7 showed signals at δ = 2.25 (s, 3H, CH3CO), 2.65 (s, 3H, CH3 thiazole
C-4), and 7.22–7.85 (m, 9H, ArH’s). Its IR spectrum revealed bands near
2194 (CN), 1675 (CO) and 1602 (C N). The formation of these products
involves initial attack by one molecule of 3-chloropentane-2,4-dione to
one molecule from thioanilide 1 to give intermediate 5 which cyclized to
final products 7 via elimination of one molecule of water and 4a through
elimination of one molecule of acetic acid.
Also, ethyl 2-chloro-3-oxobutanoate reacted with thioanilide
1
in N, N-dimethylformamide containing potassium hydroxide
to afford ethyl 3-amino-4-benzoxazol-2-yl-5-(phenylamino)-thiophene-
2-carboxylate (8) and 2-(5-acetyl-4-oxo-3-phenyl(1,3-thiazolidin-2-
ylidene)-2-benzoxazol-2-ylethanenitrile (9) (Scheme 1). Structures 8
and 9 were confirmed based on elemental analysis and spectral data.
Thus, IR spectrum of 8 revealed band at 3303, 3228, 3163 (NH2 and
NH), 1658 (CO), and 1600. Its 1H NMR (δ ppm) showed signals at 1.24
(t, 3H, CH3CH2), 4.25 (q, 2H, CH2CH3), 7.28–7.81 (m, 9H, ArH’s), and
10.55 (s, br., 3H, NH2 and NH). IR spectrum of 9 revealed bands at 2194
1
(CN), 1680, 1635 (CO’s) and 1610 (C N). Its H NMR (δ ppm) showed
signals at δ = 1.85 (s, 1H, CH3), 6.35 (s, 3H, thiazole C-5), and 6.95–7.77
(m, 9H, ArH’s).
Treatment of thioanilide 1 with the appropriate hydrazonoyl halides
10a–e in presence of potassium hydroxide to give 2,3-dihydro-1,3,4-
thiadiazole derivatives 14a–e, respectively (Scheme 2). Structure 14
was confirmed by elemental analysis, spectral data, and alternative
1
method synthesis. Thus, H NMR spectrum of 14a showed signals at
δ = 1.35 (t, 3H, CH3 CH2), 4.55 (q, 2H, CH2 CH3), and 7.25 (m, 9H,
ArH’s). Its IR spectrum revealed band at 2204 (CN), 1743 (CO) and
1
1610 (C N). H NMR (δ ppm) spectrum of 14b showed signals at δ =
1.35 (t, 3H, CH3 CH2), 2.45 (s, 3H, 4-CH3C6H4), 4.45 (q, 2H, CH2 CH3),
and 7.25–7.80 (m, 8H, ArH’s). Meanwhile, the product seemed to be
one of two isomeric structures, 14a, and 14b. By M.O. calculation using
Hyper-Chem and MBI3 method indicated the isomeric 14a more stable
than isomeric 14b (Scheme 2).
The formation of product 14 can be explained via elimination of ani-
line from the cycloadduct of nitrile imide 11 (which generated in situ by
treatment of hydrazonoyl chloride 16 with base) to CS double bond of
thioanilide 1 or by stepwise path involving substitution to give a cyclic
hydrazone 16, which easy transferred to cyclic intermediate 17. The
latter gave14 via elimination of aniline (Scheme 3).
An unequivocal support for structure 14a, came from reaction of the
appropriate C-ethoxycarbonyl-N-phenylhydrazonoyl chloride 10a with