4-Fluoroaniline → HCID 11695658, compound

HRID 729312Notes

Reaction equation

Cl[C:2]1[C:3](=[O:16])[N:4]([CH3:15])[S:5](=[O:14])(=[O:13])[C:6]=1[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1.[F:17][C:18]1[CH:24]=[CH:23][C:21]([NH2:22])=[CH:20][CH:19]=1>>[F:17][C:18]1[CH:24]=[CH:23][C:21]([NH:22][C:2]2[C:3](=[O:16])[N:4]([CH3:15])[S:5](=[O:14])(=[O:13])[C:6]=2[C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)=[CH:20][CH:19]=1

Participants

Reactant 2

HCID 97314-Fluoroaniline

HCID 686620174-Chloro-2-methyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide

Product 1

HCID 11695658HCID 11695658, compound

Procedure

The title compound was prepared from 4-chloro-2-methyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide and 4-fluoroaniline in a similar manner as described for e.g. Examples 9 and 13. 1H NMR (400 MHz, CDCl3): δ 3.27 (s, 3H), 6.66-6.71 (m, 4H), 7.12-7.26 (m, 5H); 13C NMR (100 MHz, CDCl3): δ 24.2, 111.1, 115.1, 115.3, 123.8, 123.9, 124.5, 128.2, 129.0, 129.2, 129.3, 131.1, 131.2, 131.8, 131.9, 158.6, 159.0, 161.1; 13C NMR (100 MHz, CDCl3): δ 24.2, 111.1, 123.8, 123.9, 124.5, 128.2, 129.2, 129.3, 131.2, 131.8, 131.9, 158.6, 159.0, 161.1; Mass Spectrum: M−H+ 331.

Sources & evidence

ORD record: ord-bbccf64c20714bd5915f7690961b40f6
Source dataset: uspto-grants-2009_09
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07582629B2

Reaction notes

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