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Unsymmetrical Divinylbenzenes
779
E,E-Methyl 4-(2-cyanoethenyl)cinnamate (5b): M.p. 126–128ꢂC
(white solid frompetroleu-mether (b.p. 60–90
ꢂC)–ethyl acetate)
(lit. 121–122ꢂC[11]). IR: 2210, 1709, 1632, 1426, 1328, 1171, 1121, 973,
1
814 cmꢀ1. H NMR: ꢀ 3.83 (s, 3H, CH3), 5.94 (d, J ¼ 16.7 Hz, 1H), 7.41
(d, J ¼ 16.7 Hz, 1H), 6.50 (d, J ¼ 16.0 Hz, 1H), 7.68 (d, J ¼ 16.0 Hz, 1H),
7.47–7.58 (m, 4H, ArH). MS: m/z 213 [Mþ] (77), 182 (100), 154, 127, 101,
77. Anal. found: C, 73.10; H, 5.13; N, 6.39; calcd. for C13H11NO2:
C, 73.22; H, 5.20; N, 6.57.
Preparation of 6a: The m-carboxycinnamic acid 3b was obtained in
70% yield. Reaction of 3b (5.15 g, 25 mmol) with SOCl2 (2.18 mL,
30 mmol) and DMF (0.01 mL) in toluene (20 mL) for 5 h afforded 4b
(4.98 g, 89%). Refluxing 4b (2.25 g, 10 mmol) with styrene (1.4 mL,
11 mmol) in p-xylene (20 mL) in the presence of Pd(OAc)2 (2 mg,
0.009 mmol) and PhCH2NMe2 (1.65 mL, 11 mmol) at 135ꢂC under
nitrogen for 18 h gave 6a (2.01 g, 76%). The overall yield starting from
2b is 47%.
E,E-Methyl 3-styrylcinnamate (6a): M.p. 140–141ꢂC (white solid
frompetroleum-ether (b.p. 60–90 ꢂC)–ethyl acetate) IR: 1717, 1642,
1436, 1321, 1174, 986, 967, 801, 752, 6939 cmꢀ1 1H NMR: ꢀ 3.85
.
(s, 3H, CH3), 6.51 (d, J ¼ 16.2 Hz, 1H), 7.14 (d, J ¼ 16.4 Hz, 1H), 7.15
(d, J ¼ 16.4 Hz, 1H), 7.74 (d, J ¼ 16.2 Hz, 1H), 7.30–7.67 (m, 9H, ArH).
MS: m/z 264 [Mþ] (100), 232 (13), 203 (54), 178 (28). Anal. found: C,
81.47; H, 5.98; calcd. for C18H16O2: C, 81.79; H, 6.10.
Preparation of 6b: Refluxing 4b (2.25 g, 10 mmol) with acrylonitrile
(0.73 mL, 11 mmol) in p-xylene (20 mL) in the presence of Pd(OAc)2
(4 mg, 0.018 mmol) and PhCH2NMe2 (1.65 mL, 11 mmol) at 135ꢂC
under a nitrogen atmosphere for 24 h gave 6b (1.51 g, 71%). The overall
yield starting from 2b is 44%.
E,E-Methyl 3-(2-cyanoethenyl)cinnamate (6b): M.p. 114–115ꢂC
(white solid frompetroleum-ether (b.p. 60–90 ꢂC)–ethyl acetate) IR:
2212, 1710, 1639, 1618, 1314, 1179, 1197, 987, 854, 791, 677 cmꢀ1
.
1H NMR: ꢀ 3.84 (s, 3H, CH3), 5.95 (d, J ¼ 16.8 Hz, 1H), 7.69
(d, J ¼ 16.2 Hz, 1H), 6.49 (d, J ¼ 16.2 Hz, 1H), 7.40–7.62 (m, 5H, ArH).
MS: m/z 213 [Mþ] (38), 182, 154 (100), 127 (42). Anal. found: C, 73.15; H,
5.02; N, 6.87; calcd. for C13H11NO2: C, 73.22; H, 5.20; N, 6.57.
Preparation of 6c: Refluxing 4b (2.25 g, 10 mmol) with methyl
acrylate (0.99 mL, 11 mmol) in p-xylene (20 mL) in the presence of
Pd(OAc)2 (2 mg, 0.009 mmol) and PhCH2NMe2 (1.65 mL, 11 mmol) at
135ꢂC under a nitrogen atmosphere for 24 h gave 6c (1.23 g, 50%). The
overall yield starting from 2b is 31%.
E,E-Dimethyl 3,30-(1,3-phenylene)bis-2-propanoate(6c):M.p.134–136ꢂC
(white solid frompetroleu-mether (b.p. 60–90
ꢂC)–ethyl acetate)