Ethanesulfonyl chloride → HCID 178477714, compound

HRID 245097Notes

Reaction equation

[Cl:1][C:2]1[CH:3]=[C:4]([CH:9]=[C:10]([CH3:17])[C:11]=1[NH:12][S:13]([CH3:16])(=[O:15])=[O:14])[C:5]([NH:7][OH:8])=[NH:6].[CH2:18](S(Cl)(=O)=O)C>>[Cl:1][C:2]1[CH:3]=[C:4]([CH:9]=[C:10]([CH3:17])[C:11]=1[NH:12][S:13]([CH2:16][CH3:18])(=[O:15])=[O:14])[C:5]([NH:7][OH:8])=[NH:6]

Participants

Reactant 2

HCID 11667Ethanesulfonyl chloride

HCID 178426664HCID 178426664, compound

Product 1

HCID 178477714HCID 178477714, compound

Procedure

The title compound is prepared in analogy to 3-chloro-N-hydroxy-4-methanesulfonylamino-5-methyl-benzamidine using ethanesulfonylchloride; LC-MS**: tR=0.27 min, [M+1]+=292.13; 1H NMR (D6-DMSO): δ 1.36 (t, J=7.5 Hz, 3H), 2.40 (s, 3H), 3.22 (q, J=7.5 Hz), 5.88 (s, 2H), 7.57 (d, J=1.5 Hz, 1H), 7.63 (d, J=1.5 Hz, 1H), 9.18 (s, 1H), 9.78 (s, 1H).

Sources & evidence

ORD record: ord-738eefe907b14e56820c4bce3eddf056
Source dataset: uspto-grants-2014_02
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US08658675B2

Reaction notes

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