(E)-1-(1-(1,3-dithian-2-yl)propylidene)-2-(4-fluorophenyl)hydrazine

m 95

Formula: C13H17FN2S2

Canonical Smiles: CC/C(=N\Nc1ccc(cc1)F)/C1SCCCS1

Inchi: InChI=1S/C13H17FN2S2/c1-2-12(13-17-8-3-9-18-13)16-15-11-6-4-10(14)5-7-11/h4-7,13,15H,2-3,8-9H2,1H3/b16-12+

Inchikey: WWBBSKVQLPFKDZ-FOWTUZBSSA-N

Mass: 284.08

Publication (almost 4 years ago)

Authors:

Bettina Stanek

Nicole Jung

Affiliation:

Karlsruhe Institute of Technology, Institute of Organic Chemistry (Stefan Bräse Group)

Karlsruhe Institute of Technology, Institute of Organic Chemistry (Stefan Bräse Group)

DOI: 10.14272/WWBBSKVQLPFKDZ-FOWTUZBSSA-N

Characterization

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NMR/1H/CDCl3/600

1H NMR (CDCl3, 600 MHz), δ = 8.37 (s, 1 H, NH), 7.05–7.01 (m, 2 H, HAr), 6.99–6.93 (m, 2 H, HAr), 5.05 (s, 1 H, CH), 3.05–2.98 (m, 2 H, SCH2), 2.94–2.87 (m, 2 H, SCH2), 2.43 (q, 3J = 7.4 Hz, 2 H, CH2), 2.21–2,16 (m, 1 H, CH2), 2.00–1.92 (m, 1 H, CH2), 1.19 (t, 3J = 7.4 Hz, 3 H, CH3) ppm.

DOI: 10.14272/WWBBSKVQLPFKDZ-FOWTUZBSSA-N/NMR/1H/CDCl3/600

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NMR/13C/CDCl3/150

13C NMR (CDCl3, 150 MHz) δ = 157.4 (d, 1J = 236.9 Hz, CArF), 142.7 (CArN), 141.9 (d, 4J = 2.0 Hz, CArN), 115.7 (d, 2J = 22.5 Hz, 2 CAr), 114.0 (d, 3J = 7.5 Hz, 2 CAr), 47.0 (SCS), 31.7 (2 SCH2), 29.8 (CH2), 25.5 (CH2), 11.3 (CH3) ppm.

DOI: 10.14272/WWBBSKVQLPFKDZ-FOWTUZBSSA-N/NMR/13C/CDCl3/150

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IR

IR (ATR) = 3202, 2964, 2928, 1725, 1592, 1511, 1488, 1456, 1415, 1342, 1274, 1226, 1142, 1091, 1009, 977, 904, 844, 796, 781, 678, 654, 594, 545, 520, 497, 462, 411 cm-1.

DOI: 10.14272/WWBBSKVQLPFKDZ-FOWTUZBSSA-N/IR

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Mass/EI

EI-MS (70 eV, 120 °C) = 284/285 (23/8) [M+], 209/210 (29/5), 138/139 (70/13), 118/119 (18/100), 110/111 (23/46), 95 (23). HRMS (C13H17FN2S2): calc. 284.0812, found: 284.0814.

DOI: 10.14272/WWBBSKVQLPFKDZ-FOWTUZBSSA-N/Mass/EI

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TLC

Rf = 0.44 (cyclohexane : ethyl acetate, 4:1)

DOI: 10.14272/WWBBSKVQLPFKDZ-FOWTUZBSSA-N/TLC


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