Isopropyl Isothiocyanate → HCID 178465977, compound

HRID 1066139Notes

Reaction equation

HRID 1066139 reaction equation
[C:1]([C:4]1[CH:9]=[CH:8][C:7]([S:10]([NH2:13])(=[O:12])=[O:11])=[C:6]([NH2:14])[CH:5]=1)(=[O:3])[CH3:2].[CH:15]([N:18]=[C:19]=S)([CH3:17])[CH3:16]>C(OCC)(=O)C>[C:1]([C:4]1[CH:9]=[CH:8][C:7]2[S:10](=[O:11])(=[O:12])[N:13]=[C:19]([NH:18][CH:15]([CH3:17])[CH3:16])[NH:14][C:6]=2[CH:5]=1)(=[O:3])[CH3:2]

Participants

4

Reactant 2

HCID 75263Isopropyl IsothiocyanateHCID 21197865HCID 21197865, compound

Product 1

HCID 178465977HCID 178465977, compound

Reagents, catalysts & solvents 1

HCID 8857Ethyl AcetateSolvent

Procedure

The title compound was prepared from 4-acetyl-2-aminobenzenesulfonamide and isopropyl isothiocyanate by a method analogous to the one described in Example 4; m.p. 305-308° C. (ethyl acetate); 1H-NMR (DMSO-d6): δ 1.19 (d, 6H, CH(CH3)2), 3.95 (m, 1H, CH(CH3)2), 7.25 (br., 1H, NH), 7.70-7.85 (m, 3H, ArH), 10.5 (br.s, 1H, NH); MS: m/e 281 (M+; 39%); (C12H15N3O3S1) calc. C, 51.23; H, 5.37; N, 14.94, found C, 51.15; H, 5.50; N, 14.69.

Sources & evidence

ORD record
ord-88773ba5f3874774b1f54f697fe053b8
Source dataset
uspto-grants-2001_06
Patent number
US06242443B1

Reaction notes

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