ANNEXE 1 : SPECTRES DE RÉSONANCE MAGNÉTIQUE NUCLÉAIRE DES PROTONS

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1 ANNEXE 1 : SPECTRES DE RÉSNANCE MAGNÉTIQUE NUCLÉAIRE DES PRTNS 126

2 [N-(But-3-ényl)méthylamino]acétate d éthyle (1) N C 2 Et 127

3 Chlorure de N-but-3-ényl-N-(carboxyméthyl)méthylammonium (2) Cl - H N + H 128

4 N-Benzylpent-4-énylamine (3) N H 129

5 (N-Benzylpent-4-énylamino)acétate d éthyle (4) N CEt 130

6 Chlorure de N-benzyl-N-(carboxyméthyl)pent-4-énylammonium (5) H Cl - N + CH 131

7 Ester méthylique de la N-Benzylvaline (6) N H CMe 132

8 2-(N-Benzylbut-3 -énylamino)-3-méthylbutyrate de méthyle (7) N CMe 133

9 2-(N-Benzylbut-3-énylamino)-3-méthylbutyrate de lithium (8) N CLi 134

10 2-(N-Benzylpent-4 -énylamino)valérate d éthyle (9) N CEt 135

11 2-(N-Benzylpent-4 -énylamino)pentanoate de lithium (10) N Li 136

12 1-(t-Butyldiméthylsilyloxy)pent-4-yne (11) Si 137

13 Acide 6-(t-butyldiméthylsilyloxy)hex-2-ynoïque (12) Si CH 138

14 6-(t-Butyldiméthylsilyloxy)-N,N-diéthylhex-2-ynamide (13) Si N 139

15 N,N-Diéthylhex-2-ynamide (14) H N 140

16 (Z)-N,N-Diéthylhex-2-énamide (15) H N 141

17 N,N-Diéthyl-(6-t-butyldiméthylsilyloxy)hexanamide (16) Si N 142

18 (E/Z)-2-(Dihydrofuran-2 -ylidène)-n,n-diéthylacétamide (18) H N 143

19 Méthanesulfonate de but-3-ényle (19) H 3 C S 144

20 1-Aminobut-3-ène (21) H 2 N 145

21 2-(But-3 -énylamino)propionate de méthyle (22) HN 146

22 2-(N-Benzoylbut-3 -énylamino)propionate de méthyle (23) N H 147

23 Amine tricyclique 26a N Ph 148

24 Amine tricyclique 26b N Ph 149

25 But-3-énylaminoacétate d éthyle (27) HN 150

26 (N-Benzoylbut-3-énylamino)acétate d éthyle (28) N 151

27 Acide (N-benzoylbut-3-énylamino)acétique (29) N CH 152

28 2-[N-(But-3 -ényl)méthanesulfonylamino]propionate de méthyle (31) S N 153

29 2-[N-But-3 -ényl-(2,2 -diméthylpropionyl)amino]propionate de méthyle (32) N 154

30 Acide [N-(but-3-ényl)méthanesulfonylamino]propionique (33) N H 155

31 Méthanesulfonate de but-3-ynyle (35) S 156

32 1-Aminobut-3-yne (37) H 2 N 157

33 2-(But-3-ynylamino)propionate de méthyle (38) HN Me 158

34 2-(Benzoyl-but-3-ynylamino)propionate de méthyle (39) N Me 159

35 Acide-(Benzoyl-but-3-ynylamino)propionique (40) N H 160

36 Acide hex-5-énoïque (41) CH 161

37 2-Benzylaminopropionate d éthyle (42) N H CEt 162

38 2-(Benzylhex-5-énoylamino)-propionate d éthyle (43) Et N 163

39 Acide 2-(Benzylhex-5-énoylamino)-propionique (44) H N 164

40 N-Méthylhex-5-énylamide (45) N H 165

41 2-[N-(Hex-5-énoyl)méthylamino]propionate de méthyle (46) N Me 166

42 Acide 2-[N-(hex-5-énoyl)méthylamino]propionique (47) N H 167

43 2-(Hex-5 -énoylamino)propionate de méthyle (48) NH Me 168

44 N-Phénylhex-5-énamide (51) N H 169

45 Acide 2-[N-(Hex-5-énoyl)phénylamino]propionique (52) N CH 170

46 2-[N-(t-Butoxycarbonyl)amino]-γ-butyrolactone (54) H N 171

47 2-t-Butoxycarbonylamino-4-hydroxybutanoate de benzyle (55) H NH 172

48 2-t-Butoxycarbonylamino-4-iodobutanoate de benzyle (56) I NH 173

49 2-t-Butoxycarbonylamino-4-oxobutanoate de benzyle (58) NH 174

50 (t-butoxycarbonyl-méthyl-amino)acétate d éthyle (62) 175

51 2-(t-Butoxycarbonyl-méthyl-amino)-hept-6-énoate d éthyle (63) 176

52 N-Méthylaminohept-6-énoate d éthyle (64) 177

53 2-(Acétylméthylamino)hept-6-énoate d éthyle (65) 178

54 Acide 2-(acétylméthylamino)hept-6-énoïque (66) 179

55 2-(Benzoylméthylamino)hept-6-énoate d éthyle (68) 180

56 Acide 2-(benzoylméthylamino)hept-6-énoïque (69) 181

57 Zwittérion

58 183

59 ANNEXE 2 : CRDNNÉES DU SPECTRE DE DIFFRACTIN DES RAYNS-X DU CMPSÉ 30A 184

60 Crystallography: Experimental : The crystal was grown by slow evaporation using ethyl acetate and hexanes at room temperature. ne single crystal was mounted using a glass fiber on the goniometer. Data were collected on an Enraf-Nonius CAD-4 automatic difractometer at the Université de Sherbrooke using ω scans at 293(2) K. The DIFRAC (1) program was used for centering, indexing, and data collection. 3 standard reflections were measured every 60 minutes and no significant decay was observed during data collection. The data were reduced and corrected for absorption with the NRCVAX (2) programs. They were solved using SHELXS-97 (3) and refined by full-matrix least squares on F 2 with SHELXL-97 (4). The non-hydrogen atoms were refined anisotropically. The hydrogen atoms were placed at idealized calculated geometric position and refined isotropically using a riding model. (1) H.D. Flack, E. Blanc and D. Schwarzenbach (1992), J. Appl. Cryst., 25, (2) E.J. Gabe, Y. Le Page, J.-P. Charland, F.L. Lee, and P.S. White, (1989) J. Appl. Cryst., 22, (3) G. M. Sheldrick, SHELXS-97, G.M. Sheldrick, University of Göttingen, Germany, 1997, Release (4) G. M. Sheldrick, SHELXL-97, G.M. Sheldrick, University of Göttingen, Germany, 1997, Release

61 Table 1. Crystal data and structure refinement for ed c. Identification code ed c Empirical formula C14 H15 N 2 Formula weight Temperature 293(2) K Wavelength Å Crystal system Monoclinic Space group P 21/n Unit cell dimensions a = 6.362(3) Å α= 90. b = (7) Å β= 94.64(4). c = (5) Å γ = 90. Volume (9) Å 3 Z 4 Density (calculated) Mg/m 3 Absorption coefficient mm -1 F(000) 488 Crystal size 0.50 x 0.50 x 0.30 mm 3 Theta range for data collection 2.24 to Index ranges -7<=h<=7, 0<=k<=19, 0<=l<=12 Reflections collected 2045 Independent reflections 2045 [R(int) = ] Completeness to theta = % Absorption correction None Max. and min. transmission and Refinement method Full-matrix least-squares on F 2 Data / restraints / parameters 2045 / 0 / 155 Goodness-of-fit on F Final R indices [I>2sigma(I)] R1 = , wr2 = R indices (all data) R1 = , wr2 = Extinction coefficient (19) Largest diff. peak and hole and e.å

62 Table 2. Atomic coordinates ( x 10 4 ) and equivalent isotropic displacement parameters (Å 2 x 10 3 ) for ed c. U(eq) is defined as one third of the trace of the orthogonalized U ij tensor. x y z U(eq) c(1) -443(3)6354(1) 3751(2) 52(1) c(4) 372(2)7549(1) 4610(1) 40(1) c(5) 1397(3)7249(1) 5861(2) 50(1) c(6) 483(3)6401(1) 5907(2) 56(1) c(7) -1448(3)6475(1) 4933(2) 46(1) c(8) -3352(3)5965(1) 5093(2) 65(1) c(10) -2056(3)7709(1) 6071(2) 51(1) c(11) 191(3)7766(1) 6710(2) 58(1) c(12) 795(3)8383(1) 4200(2) 42(1) c(13) -821(3)8857(1) 3694(2) 52(1) c(14) -425(3)9620(1) 3273(2) 61(1) c(15) 1587(3)9909(1) 3346(2) 61(1) c(16) 3212(3)9446(1) 3841(2) 61(1) c(17) 2827(3)8686(1) 4274(2) 55(1) n(9) -1824(2)7358(1) 4835(1) 40(1) o(2) -508(2)5798(1) 3055(1) 76(1) o(3) 792(2)7004(1) 3613(1) 50(1) 187

63 Table 3. Bond lengths [Å] and angles [ ] for ed c. c(1)-o(2) 1.196(2) c(1)-o(3) 1.355(2) c(1)-c(7) 1.497(3) c(4)-o(3) (19) c(4)-n(9) 1.473(2) c(4)-c(12) 1.492(2) c(4)-c(5) 1.546(2) c(5)-c(11) 1.518(3) c(5)-c(6) 1.531(3) c(6)-c(7) 1.562(3) c(7)-n(9) 1.494(2) c(7)-c(8) 1.502(2) c(10)-n(9) 1.486(2) c(10)-c(11) 1.542(3) c(12)-c(13) 1.377(2) c(12)-c(17) 1.384(2) c(13)-c(14) 1.382(3) c(14)-c(15) 1.364(3) c(15)-c(16) 1.366(3) c(16)-c(17) 1.382(3) o(2)-c(1)-o(3) (17) o(2)-c(1)-c(7) (18) o(3)-c(1)-c(7) (14) o(3)-c(4)-n(9) (12) o(3)-c(4)-c(12) (13) n(9)-c(4)-c(12) (13) o(3)-c(4)-c(5) (13) n(9)-c(4)-c(5) 96.95(13) c(12)-c(4)-c(5) (14) c(11)-c(5)-c(6) (16) c(11)-c(5)-c(4) 98.98(14) c(6)-c(5)-c(4) (14) c(5)-c(6)-c(7) (13) 188

64 n(9)-c(7)-c(1) 98.59(13) n(9)-c(7)-c(8) (15) c(1)-c(7)-c(8) (16) n(9)-c(7)-c(6) (13) c(1)-c(7)-c(6) (15) c(8)-c(7)-c(6) (16) n(9)-c(10)-c(11) (14) c(5)-c(11)-c(10) (14) c(13)-c(12)-c(17) (16) c(13)-c(12)-c(4) (15) c(17)-c(12)-c(4) (15) c(12)-c(13)-c(14) (17) c(15)-c(14)-c(13) (19) c(14)-c(15)-c(16) (19) c(15)-c(16)-c(17) (18) c(16)-c(17)-c(12) (18) c(4)-n(9)-c(10) (13) c(4)-n(9)-c(7) 94.35(12) c(10)-n(9)-c(7) (13) c(1)-o(3)-c(4) (13) Symmetry transformations used to generate equivalent atoms: 189

65 Table 4. Anisotropic displacement parameters (Å 2 x 10 3 )for ed c. The anisotropic displacement factor exponent takes the form: -2π 2 [ h 2 a* 2 U h k a* b* U 12 ] U 11 U 22 U 33 U 23 U 13 U 12 c(1) 54(1) 45(1)58(1) -7(1) 7(1) -1(1) c(4) 37(1) 44(1)40(1) -3(1) 3(1) 2(1) c(5) 42(1) 55(1)52(1) 6(1) -6(1) 4(1) c(6) 59(1) 53(1)57(1) 10(1) 3(1) 8(1) c(7) 49(1) 42(1)49(1) 1(1) 6(1) -2(1) c(8) 65(1) 57(1)76(1) 2(1) 15(1) -12(1) c(10) 54(1) 57(1)42(1) -7(1) 9(1) 5(1) c(11) 66(1) 65(1)40(1) -3(1) -5(1) 0(1) c(12) 43(1) 44(1)38(1) -4(1) 3(1) -3(1) c(13) 47(1) 51(1)57(1) 7(1) -1(1) -3(1) c(14) 66(1) 51(1)67(1) 10(1) 4(1) 5(1) c(15) 79(1) 42(1)64(1) -3(1) 16(1) -7(1) c(16) 58(1) 58(1)70(1) -9(1) 13(1) -19(1) c(17) 44(1) 57(1)64(1) -2(1) 1(1) -4(1) n(9) 40(1) 42(1)38(1) -2(1) 3(1) 0(1) o(2) 90(1) 61(1)81(1) -30(1) 23(1) -9(1) o(3) 54(1) 50(1)49(1) -7(1) 16(1) -3(1) 190

66 Table 5. Torsion angles [ ] for ed c. o(3)-c(4)-c(5)-c(11) (13) n(9)-c(4)-c(5)-c(11) (15) c(12)-c(4)-c(5)-c(11) 68.73(18) o(3)-c(4)-c(5)-c(6) (17) n(9)-c(4)-c(5)-c(6) 52.29(15) c(12)-c(4)-c(5)-c(6) (14) c(11)-c(5)-c(6)-c(7) 84.29(17) c(4)-c(5)-c(6)-c(7) (17) o(2)-c(1)-c(7)-n(9) (2) o(3)-c(1)-c(7)-n(9) 38.05(17) o(2)-c(1)-c(7)-c(8) -22.2(3) o(3)-c(1)-c(7)-c(8) (16) o(2)-c(1)-c(7)-c(6) 107.3(2) o(3)-c(1)-c(7)-c(6) (16) c(5)-c(6)-c(7)-n(9) (17) c(5)-c(6)-c(7)-c(1) 82.17(16) c(5)-c(6)-c(7)-c(8) (16) c(6)-c(5)-c(11)-c(10) (17) c(4)-c(5)-c(11)-c(10) 42.40(17) n(9)-c(10)-c(11)-c(5) (18) o(3)-c(4)-c(12)-c(13) 95.42(18) n(9)-c(4)-c(12)-c(13) -19.8(2) c(5)-c(4)-c(12)-c(13) (17) o(3)-c(4)-c(12)-c(17) (19) n(9)-c(4)-c(12)-c(17) (15) c(5)-c(4)-c(12)-c(17) 46.9(2) c(17)-c(12)-c(13)-c(14) -0.3(3) c(4)-c(12)-c(13)-c(14) (16) c(12)-c(13)-c(14)-c(15) 0.6(3) c(13)-c(14)-c(15)-c(16) -0.3(3) c(14)-c(15)-c(16)-c(17) -0.3(3) c(15)-c(16)-c(17)-c(12) 0.6(3) c(13)-c(12)-c(17)-c(16) -0.3(3) c(4)-c(12)-c(17)-c(16) (16) 191

67 o(3)-c(4)-n(9)-c(10) (12) c(12)-c(4)-n(9)-c(10) (16) c(5)-c(4)-n(9)-c(10) 48.94(15) o(3)-c(4)-n(9)-c(7) 50.65(13) c(12)-c(4)-n(9)-c(7) (13) c(5)-c(4)-n(9)-c(7) (13) c(11)-c(10)-n(9)-c(4) (17) c(11)-c(10)-n(9)-c(7) 76.82(17) c(1)-c(7)-n(9)-c(4) (14) c(8)-c(7)-n(9)-c(4) (15) c(6)-c(7)-n(9)-c(4) 52.30(15) c(1)-c(7)-n(9)-c(10) (13) c(8)-c(7)-n(9)-c(10) 77.83(19) c(6)-c(7)-n(9)-c(10) (17) o(2)-c(1)-o(3)-c(4) (18) c(7)-c(1)-o(3)-c(4) -5.99(18) n(9)-c(4)-o(3)-c(1) (16) c(12)-c(4)-o(3)-c(1) (14) c(5)-c(4)-o(3)-c(1) 73.77(17) Symmetry transformations used to generate equivalent atoms: 192

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