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

m 98

Formula: C14H19IN2S2

Canonical Smiles: CC/C(=N\Nc1ccc(c(c1)I)C)/C1SCCCS1

Inchi: InChI=1S/C14H19IN2S2/c1-3-13(14-18-7-4-8-19-14)17-16-11-6-5-10(2)12(15)9-11/h5-6,9,14,16H,3-4,7-8H2,1-2H3/b17-13+

Inchikey: DJXWTAHPCVGVSX-GHRIWEEISA-N

Mass: 406.0

Publication (over 3 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/DJXWTAHPCVGVSX-GHRIWEEISA-N

Characterization

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NMR/1H/CDCl3/300

1H NMR (CDCl3, 300 MHz, δ) = 7.73 (s, 1 H), 7.29 (d, 3J = 1.6 Hz, 1 H), 6.70 (d, 3J = 8.1 Hz, 1 H), 6.59 (d, 3J = 8.1 Hz, 1 H), 4.91 (s, 1 H), 2.96 (dd, J = 8.7 Hz,  J = 3.2 Hz, 4 H), 2.47 (quin., 3J = 7.7 Hz, 2 H), 2.28 (s, 3 H), 2.21-2.06 (m, 1 H), 2.03-1.82 (m, 1 H), 1.23 (t, 3J = 7.7 Hz, 3 H).

DOI: 10.14272/DJXWTAHPCVGVSX-GHRIWEEISA-N/NMR/1H/CDCl3/300

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NMR/13C/CDCL3/100

13C NMR (100 MHz, CDCl3, δ) = 9.8, 20.7, 21.2, 25.9, 30.9 (2 C), 55.9, 110.0, 113.9, 119.6, 131.1, 134.1, 143.6, 145.5.

DOI: 10.14272/DJXWTAHPCVGVSX-GHRIWEEISA-N/NMR/13C/CDCL3/100

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IR

IR (ATR) ν = 2901, 1600, 1564, 1510, 1458, 1422, 1376, 1340, 1273, 1167, 1129, 1027, 970, 888, 823, 728, 686, 666, 435 cm-1

DOI: 10.14272/DJXWTAHPCVGVSX-GHRIWEEISA-N/IR

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Mass/EI

EI MS (70 eV, 80 °C) m/z (%) = 406 [M+] (0,5), 213 (15), 84 (100). - HRMS (M+ - I, C14H19IN2S) = calc. 280.1062, found 280.1060.

DOI: 10.14272/DJXWTAHPCVGVSX-GHRIWEEISA-N/Mass/EI

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TLC

Rf = 0.15 (cyclohexane : ethyl acetate, 4:1)

DOI: 10.14272/DJXWTAHPCVGVSX-GHRIWEEISA-N/TLC


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