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80 ꢀC for 3 h. Compound 1b was isolated as a white
–CH2pyz), 3.82–3.54, (m, 2H, HB of –CH2pyz), 3.07–2.78
(br m, 4H, N(CHMe2)2) 2.93–2.70 {m, 2H, HA of
–CH2NPri2}, 2.63–2.38 (m, 6H, CH3 at pyz-3), 2.38–2.25
(m, 2H, HB of –CH2NPr2i ), 2.20–1.87 {m, 6H, (CH3 at
pyz-5)}, 1.45–1.24 (m, 12H, Ti–OCHMe2), 1.07–0.72
(br m, 24 H, {N(CHMe2)2}. 13C (C6D6) d: 147.8 (pyz-3),
147.3 (pyz-3), 139.2 (pyz-5), 105.0 (pyz-4), 81.7
(Ti–OCH–), 80.8 (Ti–OCH–), 77.0 (Ti–OCH–), 52.7
(–CH2pyz), 50.5 (CH2NPri2), 48.6 (CH2NPr2i ), 26.7 (Ti–
OCHMe2), 22.3 {N(CHMe2)2}, 19.9 {N(CHMe2)2}, 14.2
(CH3 at pyz-3), 11.0 (CH3 at pyz-5). IR (neat, cmꢀ1):
2965, 2928, 2867, 2617, 1553, 1464, 1425, 1385, 1362,
1324, 1260, 1207, 1123, 1045, 987, 930, 886, 809, 775,
738, 696, 632. Anal. Calc. for C34H66N6O4Ti: C, 60.88;
H, 9.92; N, 12.53. Found: C, 61.11; H, 9.81; N, 12.63%.
1
powder. Yield: 30.5 g, 56%. H NMR (C6D6): d 7.22–7.04
3
(m, 10H, N(CH2Ph)2), 5.64 (s, 1H, pyz-4), 4.61 (d, J =
2.5 Hz, 1H, CH–OH), 4.12 (m, 1H, HO–CH), 3.82 (dd,
2J = 17 Hz, 3J = 3.5 Hz, 1H, HA of –CH2pyz), 3.56
2
3
(dd, J = 17 Hz, J = 9.5 Hz, 1H, HB of –CH2pyz), 3.43
2
2
(d, J = 17 Hz, 2H, HA of CH2Ph), 3.39 (d, J = 17 Hz,
2H, HB of CH2Ph), 2.54 (dd, 2J = 16.5 Hz, 1H, HA of
–CH2NPri2), 2.52 (dd, 2J = 16.5 Hz, 1H, HB of –CH2NPri2),
2.20 (s, 3H, CH3 at pyz-3), 1.82 (s, 3H, CH3 at pyz-5). 13C
NMR (C6D6): d 147.4 (pyz-3), 139.5 (pyz-5), 139.3, 129.3,
128.5, 127.3, 104.8 (pyz-4), 69.1 (CH–OH), 59.1 (CH2Ph),
57.0 (CH2N(CH2Ph)2), 52.1 (CH2pyz), 13.7 (CH3 at pyz-
3), 10.5 (CH3 at pyz-5). IR (Nujol, cmꢀ1): 3174, 1548,
1461, 1377, 1359, 1123, 1092, 1077, 1047, 1032, 910, 860,
782, 751, 736, 699. GC–MS(EI): M+ (349).
4.4. Synthesis of [(Bn2-admpzp)2Ti(OPri)2] (2b)
4.2.3. 1-(Benzyl-tert-butyl-amino)-3-(3,5-dimethyl-pyrazol-
1-yl)-propan-2-ol (1c)
Into a pentane (20 mL) solution of Ti(OPri)3Cl (0.500 g,
1.92 mmol) was slowly added (dropwise) a pentane (40 mL)
solution of 1-dibenzylamino-3-(3,5-dimethyl-pyrazol-1-yl)-
propan-2-ol (1b, 0.670 g, 1.92 mmol) and NEt3 (0.194 g,
1.92 mmol). Next, another equivalent of 1b (0.670 g,
1.92 mmol) in pentane (40 mL) was slowly added. The
reaction mixture was let stir for 2 h at room temperature,
during which time [HNEt3]Cl precipitated. After the pre-
cipitate was filtered off, the yellow filtrate was cooled at
ꢀ30 ꢀC overnight. The bottom layer of the resulting bipha-
sic mixture was collected and dried under vacuum for 4 h
to give 2b as a viscous yellow liquid. A colorless oil could
be obtained via dissolution in pentane, filtration through
a plug of dry activated carbon, and evaporation of the
solvent. Yield: 1.56 g. 94%. 1H (C6D6) d: 7.50–6.98 (m,
20H, {PhCH2)2N}, 5.55 (br s, 2H, pyz-4), 4.95–4.60 (br
m, 4H, Ti–OCH–), 4.22–4.00 (m, 2H, HA of CH2pyz),
3.93–3.67 (m, 4H, HA of (PhCH2)2N), 3.67–3.26 (m, 2H,
HB of CH2pyz), 3.47–3.26 (m, 4H, HB of (PhCH2)2N),
2.81–2.50 (br m, 4H, –CH2NBn2), 2.47–2.08 (m, 6H, CH3
at pyz-3), 2.06–1.67 (m, 6H, (CH3 at pyz-5), 1.45–0.80 (br
m, 12H, Ti–OCHMe2). 13C (C6D6) d: 147.8 (pyz-3), 140.1
(pyz-5), 139.2, 129.4, 128.4, 127.1 {(PhCH2)2N}, 105.0
(pyz-4), 79.4 (Ti–OCH–), 77.4 (Ti–OCH–), 59.4
{(PhCH2)2N}, 59.0 (–CH2NBn2), 52.8 (CH2pyz), 26.5
(Ti–OCHMe2), 14.2 (CH3 at pyz-3), 11.1 (CH3 at pyz-5).
IR (neat, cmꢀ1): 3084, 3061, 3027, 2963, 2853, 2792,
2714, 2617, 1948, 1877, 1809, 1754, 1602, 1585, 1553,
1494, 1454, 1373, 1240, 1097, 1018, 933, 847, 780, 747,
698. Anal. Calc. for C50H66N6O4Ti: C, 69.59; H, 7.71; N,
9.74. Found: C, 69.65; H, 7.91; N, 9.80%.
Prepared as described for 1b using benzyl-tert-butyl-
amine (28.3 mL, 0.156 mol). Compound 1c was isolated
1
as a yellow liquid. Yield: 18.7 g, 38%. H NMR (C6D6):
d 7.20–6.98 (m, 5H, CH2Ph) 5.60 (s, 1H, pyz-4), 4.24 (br
2
3
s, 1H, CH–OH), 3.83 (dd, J = 17 Hz, J = 4 Hz, 1H, HA
of –CH2pyz), 3.64 (m, 1H, HO–CH), 3.41 (dd, 2J =
17 Hz, 3J = 8.5 Hz, 1H, HB of –CH2pyz), 3.46 (d, 2J =
2
18.5 Hz, 1H, HA of CH2Ph), 3.35 (d, J = 18.5 Hz, 1H,
2
3
HB of CH2Ph), 2.74 (dd, J = 17 Hz, J = 9 Hz, 1H, HA
of CH2NButBn), 2.52 (dd, 2J = 17 Hz, 3J = 8.5 Hz, 1H,
HB of CH2NButBn), 2.13 (s, 3H, CH3 at pyz-3), 1.85 (s,
3H, CH3 at pyz-5), 0.89 (s, 9H, But). 13C NMR (C6D6): d
147.0 (pyz-3), 139.5 (pyz-5), 142.9, 128.5, 128.1, 126.8,
104.7 (pyz-4), 70.0 (CH–OH), 55.9 (CH2Ph), 55.5
(N–CMe3), 55.1 (CH2NButBn), 52.0 (CH2pyz), 27.2
(N–CMe3), 13.7 (CH3 at pyz-3), 11.0 (CH3 at pyz-5). IR
(Neat, cmꢀ1): 3381, 3027, 2970, 2870, 1553, 1493, 1467,
1425, 1391, 1364, 1258, 1245, 1199, 1123, 1055, 1026,
948, 900, 842, 774, 750, 735, 715, 699. GC–MS(EI): M+
(315).
4.3. Synthesis of [(Pri2-admpzp)2Ti(OPri)2] (2a)
Into a pentane (20 mL) solution of Ti(OPri)3Cl (0.500 g,
1.92 mmol) was added dropwise a pentane (20 mL) solu-
tion of 1-diisopropylamino-3-(3,5-dimethyl-pyrazol-1-yl)-
propan-2-ol (1a, 0.490 g, 1.92 mmol) and NEt3 (0.194 g,
1.92 mmol). Next, another equivalent of 1a (0.490 g,
1.92 mmol) in pentane (20 mL) was slowly added. The
reaction mixture was let stir for 2 h at room temperature,
during which time [HNEt3]Cl precipitated. After filtering
off the precipitate, the yellow filtrate was evaporated under
reduced pressure to give 2a as a yellow oily liquid. This
product could be obtained as a colorless oil following
dissolution in pentane, filtration through a plug of dry
activated carbon, and evaporation of the solvent. Yield
4.5. Synthesis of [(ButBn-admpzp)2Ti(OPri)2] (2c)
Into a pentane (20 mL) solution of Ti(OPri)3Cl (0.500 g,
1.92 mmol) was slowly added (dropwise) a pentane (20 mL)
solution of 1-(benzyl-tert-butyl-amino)-3-(3,5-dimethyl-
pyrazol-1-yl)-propan-2-ol (1c, 0.610 g, 1.92 mmol) and
NEt3 (0.194 g, 1.92 mmol). Next, another equivalent of 1c
1
1.24 g, 96%. H (C6D6) d: 5.68 (br s, 2H, pyz-4), 5.12–
4.46 (br m, 4H, Ti–OCH–), 4.44–4.10 (m, 2H, HA of