tert-Butyl isothiocyanate → HCID 59674237, compound

HRID 1391537Notes

Reaction equation

HRID 1391537 reaction equation
[CH3:1][NH:2][C:3]1[C:4]([NH2:12])=[CH:5][C:6]([N+:9]([O-:11])=[O:10])=[CH:7][CH:8]=1.[C:13]([N:17]=[C:18]=S)([CH3:16])([CH3:15])[CH3:14]>>[C:13]([NH:17][C:18]1[N:2]([CH3:1])[C:3]2[CH:8]=[CH:7][C:6]([N+:9]([O-:11])=[O:10])=[CH:5][C:4]=2[N:12]=1)([CH3:16])([CH3:15])[CH3:14]

Participants

3

Reactant 2

HCID 11544tert-Butyl isothiocyanateHCID 34200251-N-methyl-4-nitrobenzene-1,2-diamine

Product 1

HCID 59674237HCID 59674237, compound

Procedure

N1-methyl-4-nitro-benzene-1,2-diamine (2.0 g, 12.0 mmol) and tert-butyl isothiocyanate (1.67 ml, 13.2 mmol) were coupled using the procedure of intermediate example one part B to give the title compound as a yellow solid. 1H NMR (300 MHz, d6-DMSO) d 8.01 (d, J=2.1 Hz, 1H), 7.90 (dd, J=8.7 and 2.1 Hz, 1H), 7.32 (d, J=8.7 Hz, 1H), 6.41 (s, 1H), 3.58 (s, 3H), 1.48 (s, 9H) ppm.

Sources & evidence

ORD record
ord-db9da25f00bf4bf78f9be6711ab7cf44
Source dataset
uspto-grants-2008_03
Patent number
US07338959B2

Reaction notes

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