N7-Ferrocenoyl adenine (N7,R=NH2): 1474 (s, purine ring breathing), cm

H NMR (400 MHz, DMSOd6,25°C): δ 9.00 (s, 1H, C8−H), 8.37 (s, 1H, C2−H), 7.07 (s, 2H,
NH2), 5.11 (t, 2H, Cα-H), 4.86 (t, 2H, Cβ-H), 4.34 (s, 5H, Cp-H) ppm.
C{H} NMR (100 MHz, DMSO-d6,25°C): δ 171.1 (FcCO), 161.1 (C2), 155.0 (C6), 152.6 (C4), 146.7 (C8), 109.6
(C5) 74.4 (Cβ), 72.7 (Cα), 71.4 (Cp), 69.9 (Ci) ppm. HRMS (MALDI-TOF/
TOF) m/z: [M+H]alcd for C16H13FeN5OH, 348.0548; found, 348.0553.

N9-Ferrocenoyl adenine (N9,R=NH2): red-orange crystals (yield 208 mg (60.0%) from 1 mmol, 135.1 mg of
adenine). IR (CH2Cl2): ν 3298 (w, NH), 3131 (w, NH), 2959 (w, CH, Fc), 1623 (s, C O), 1500 (s, purine ring
breathing), cm
H NMR (400 MHz, DMSOd6,25°C): δ 8.65 (s, 1H, C8−H), 8.19 (s, 1H, C2−H), 7.48 (s, 2H, NH2), 5.02 (t, 2H, Cα-
H), 4.78 (t, 2H, Cβ-H), 4.31 (s, 5H, Cp-H) ppm.
C{H} NMR (100 MHz, DMSO-d6,25°C): δ 169.7 (FcCO), 156.8 (C2), 154.1 (C6), 149.6 (C4), 139.9 (C8), 119.3
(C5), 74.1 (Cβ), 72.6 (Cα), 71.0 (Cp), 69.9 (Ci) ppm HRMS (MALDI-TOF/ TOF) m/z: [M+H] calcd for
C16H13FeN5OH, 348.0548; found,348.0552.
N7-ferrocenoyl-C6-methylpurine (N7, RR==CH3): red crystals(yield 40 mg (11%) from 1 mmol, 134.1 mg of C6-
methylpurine). IR(CH2Cl2): ν 3130 (w, CH, Fc), 3039 (w, C8−H), 1698 (s, C O),1590 (s, purine ring breathing) cm
H NMR (400 MHz, CDCl3,25°C): δ 9.11 (s, 1H, C2−H), 8.89 (s, 1H, C8−H), 4.98 (t, 2H, Cα-H),4.79 (t, 2H, Cβ-H),
4.36 (s, 5H, Cp-H), 2.87 (s, 3H, CH3) ppm.
13C{H} NMR (100 MHz, DMSO-d6,25°C): δ 168.8 (FcCO), 161.3(C6), 154.6 (C2), 154.6 (C4), 147.5 (C8), 123.3
(C5), 73.9 (Cβ),71.9 (Cα), 71.6 (Ci), 70.9 (Cp), 24.0 (CH3) ppm. HRMS (MALDITOF/TOF)m/z: [M+H]calcd for
C17H14FeN4OH, 347.0595;found, 347.0590.

N9-ferrocenoyl-C6-methylpurine (N9,R=CH3): red crystals (263 mg, (47%) from 1 mmol, 134.1 mg of C6-methyl-
purine). IR (CH2Cl2): ν 3121 (w, CH, Fc), 3036 (w, C8−H), 1704 (s, C O),1598 (s, purine ring breathing) cm
H NMR (400 MHz, DMSOd6,25°C): δ 9.03 (s, 1H, C2−H), 8.86 (s, 1H, C8−H), 5.05 (s, 2H, Cα-H), 4.82 (t, 2H, Cβ-
H), 4 (t, 5H, Cp-H), 2.77 (s, 3H, CH3) ppm.
C{H} NMR (100 MHz, DMSO-d6,25°C): δ 169.2 (FcCO), 159.5 (C6), 153.2 (C2), 150.3 (C4), 144.2 (C8), 133.0
(C5), 74.4 (Cβ), 72.6 (Cα), 71.5 (Ci), 71.1 (Cp), 19.7 (CH3) ppm. HRMS (MALDITOF/TOF) m/z: [M+H] calcd for
C17H14FeN4OH, 347.0595; found, 347.0591.
N7-ferrocenoyl-C6-NH-benzylpurine (N7, RR==NHBz): redcrystals (yield 22 mg (5%) from 1 mmol, 225.2 mg of
C6−NH-
benzyl-purine). IR (CH2Cl2): ν 3420 (w, NH), 3036 (w, CH, Fc),2940 (w, C8−H), 1690 (s, C O), 1617 (s, purine
ring breathing)cm−1
1H NMR (400 MHz, CDCl3, 25°C): δ 8.82 (s, 1H, C8−H),8.64 (s, 1H, C2−H), 7.68 (s, 1H, HN), 7.42 (d, J = 7.7 Hz,
2H, C2′H),
7.35 (t, J = 7.5 Hz, 2H, C3′-H), 7.28 (dd, J = 11.1, 4.5 Hz, 1H,C4′-H), 4.96 (t, 2H, Cα-H), 4.86 (d, J = 5.5 Hz, 2H,
CH2), 4.75 (t,2H, Cβ-H), 4.27 (s, 5H, Cp-H).
13C{H} NMR (100 MHz, CDCl3, 25 °C): δ 171.28 (FcCO), 160.5 (C1′), 155.5 (C2), 151.4 (C6),144.3 (C8), 138.4
(C4), 128.7 (C2′), 127.6 (C3′), 127.4 (C4′),110.3 (C5), 73.8 (Cβ), 72.2 (Cα), 71.4 (Ci), 71.1 (Cp), 44.9 (CH2)ppm.
HRMS (MALDI-TOF/TOF): calcd for C23H19FeN5O [M],437.0939; found, 437.0946. HRMS (MALDI-TOF/TOF)
m/z: [M] calcd for CHFeNO, 437.0939; found, 437.0946.

N9-ferrocenoyl-C6-NH-benzylpurine (N9, RR==NHBz): red crystals crystals (yield 131 mg (30%) from 1 mmol,
225.2 mg of C6−NH-benzyl-purine). IR (CH2Cl2): ν 3424 (w, NH), 3036 (w, CH, Fc), 2932 (w, C8−H), 1701 (s,
C O), 1617 (s, purine ring breathing) cm −1
H NMR (400 MHz, CDCl3,25°C): δ 8.52 (s, 1H, C8−H), 8.31 (s, 1H, C2−H), 7.41 (t, J = 8.6 Hz, 2H, C2′-H), 7.35 (t, J
= 7.3 Hz, 2H, C3′-H), 7.28 (dd, J = 12.9, 5.8 Hz, 1H, C4′-H), 6.45 (s, 1H, NH), 5.08 (d, J = 26.0 Hz, 2H, Cα-H), 4.89
(s, J = 1.7 Hz, 2H, CH2), 4.71 (t, 2H, Cβ-H), 4.28 (s, 5H, Cp) ppm.
13C{H}NMR(100 MHz, CDCl3,25°C): δ 169.2 (FcCO), 155.0 (C6), 154.5 (C2),148.9 (C1′), 139.0 (C8), 138.3 (C4),
128.7 (C2′), 127.8 (C3′),127.6 (C4′), 120.1 (C5), 73.5 (Cα), 72.5 (Cβ), 71.5 (Ci), 70.9 (Cp), 44.6 (CH2) ppm HRMS
(MALDI-TOF/TOF) m/z: [M]131C{+calcd for C23H19FeN5O, 437.0939; found, 437.0946.
N7-ferrocenoyl-C6-O-benzylpurine (N7, R = OBz): red crystals (yield 35 mg (8%) from 1 mmol, 226.2 mg of C6−O-
benzyl-purine). IR (CH2Cl2): ν 3044 (w, CH, Fc), 2923 (w, C8−H), 1710 (s, C O), 1595 (s, purine ring breathing)
cm−1
1H NMR (400 MHz,CDCl3,25°C): δ 8.80 (s, 1H, C8−H), 8.58 (s, 1H, C2−H), 7.51 (d,J = 8.6 Hz, 2H, C2′-H), 7.36
(m, J = 7.3 Hz, 3H, C3′/C4′-H), 5.64(s, J = 1.7 Hz, 2H, CH2), 4.90 (t, J = 26.0 Hz, 2H, Cα-H), 4.68 (t,2H, Cβ-H), 4.17
(s, 5H, Cp) ppm.
13C{H} NMR (100 MHz,DMSO-d6, 25°C): δ 167.5 (FcCO), 162.8 (C6), 157.1 (C1′), 153.9(C8), 145.3 (C2), 135.5
(C4), 128.7 (C2′), 127.8 (C3′), 127.6(C4′), 111.7 (C5), 73.9 (Cβ), 72.7 (Cα), 70.9 (Cp), 70.0 (Ci), 69.1(CH2) ppm.
HRMS (MALDI-TOF/TOF): calcd for C23H18FeN4O2+[M + H], 439.0858; found, 439.0860. HRMS (MALDI-
TOF/TOF)m/z: [M+H]calcd for C23H18FeN4O2H, 439.0858; found,439.0860.

N9-ferrocenoyl-C6-O-benzylpurine (N9, R = OBz): red crystals (yield 153 mg (35%) from 1 mmol, 226.2 mg of
C6−O-benzylpurine). IR (CH2Cl2): ν 3125 (w, CH, Fc), 2959 (w, C8−H), 1705
(s, C O), 1596 (s, purine ring breathing) cm −1
H NMR (400 MHz, CDCl3, 25°C): δ 8.67 (s, 1H, C8−H), 8.54 (s, 1H, C2−H), 7.56 (d, J = 8.6 Hz, 2H, C2′-H), 7.36
(m, J = 7.3 Hz, 3H, C3′/C4′H), 5.71 (s, J = 1.7 Hz, 2H, CH2), 5.05 (t, J = 26.0 Hz, 2H, Cα-H),
4.73 (t, 2H, Cβ-H), 4.29 (s, 5H, Cp) ppm.
13C{H} NMR (100 MHz, CDCl3, 25°C): δ 168.8 (FcCO), 161.0 (C6), 153.4 (C8), 151.6(C1′), 141.1 (C2), 135.9
(C4), 128.5 (C2′), 128.5 (C3′), 128.3 (C4′), 122.2 (C5), 73.8 (Cβ), 72.7 (Cα), 72.4 (Ci), 70.9 (Cp), 68.7 (CH2) ppm.
HRMS (MALDI-TOF/TOF) m/z: [M ++H]+calcd for C23H18FeN4O2H, 439.0858; found, 439.0859.