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HRID 736620Erstellt: 24. Oktober 2026

1,2-Benzisothiazol-3(2H)-one → 3-Oxo-3H-benzo[d]isothiazole-2-carboxylic acid (5-methyl-hexyl)-amide

https://huagongshe.com/de/reaction/736620

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
Edukt1,2-Benzisothiazol-3(2H)-oneHCID 17520—
EduktIsocyanateHCID 105034—
Produkt3-Oxo-3H-benzo[d]isothiazole-2-carboxylic acid (5-methyl-hexyl)-amideHCID 11243310—

Reaktionsschritte

Following the synthetic procedure of 6a as described in Example 1, compound 6f was synthesized from benzo[d]isothiazol-3-one and isocyanate 4a′ as a white solid. mp 49-51° C.; IR(CHCl3) 3289, 1711, 1662, 1538 cm−1; 1H-NMR (DMSO-d6) δ0.84 (d, J=6.6 Hz, 6H), 1.13-1.20 (m, 2H), 1.26-1.32 (m, 2H), 1.47-1.55 (m, 3H), 3.28-3.34 (m, 2H), 7.47 (t, J=7.9 Hz, 1H), 7.78 (t, J=7.9 Hz, 1H), 7.93 (d, J=7.9 Hz, 1H), 8.00 (d, J=7.9 Hz, 1H), 8.84 (br t, J=5.5 Hz, 1H); ESIMS m/e 293 (M++1).

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS07595403B2
Quelldatensatzuspto-grants-2009_09
ORD IDord-e2d5aa2b93784d2fa488772cc10c931b
Quellennotizuspto-grants-2009_09