Isopropyl Isothiocyanate → HCID 178456974, compound

HRID 1066131Notes

Reaction equation

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

Participants

Reactant 2

HCID 75263Isopropyl Isothiocyanate

HCID 21197786HCID 21197786, compound

Product 1

HCID 178456974HCID 178456974, compound

Procedure

The title compound was prepared from 2-amino-5-chloro-3-nitrobenzenesulfonamide and isopropyl isothiocyanate by a method analogous to the one described in Example 4; m.p. 266-267° C.; 1H-NMR (DMSO-d6): δ 1.20 (d, 6H, CH(CH3)2), 3.92 (m, 1H, CH(CH3)2), 8.19 (d, 1H, ArH), 8.48 (d, 1H, ArH), 8.72 (br.s, 1H, NH), 10.57 (br.s, 1H, NH); MS: m/e 318/320 (M+); (C10H11N4Cl1O4S1) calc. C, 37.68; H, 3.48; N, 17.58, found C, 37.82; H, 3.54; N, 17.58.

Sources & evidence

ORD record: ord-597dc5ebf1914f65b29092626a4a8fac
Source dataset: uspto-grants-2001_06
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US06242443B1

Reaction notes

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