Benzoyl isocyanate → HCID 67097833, compound

HRID 2076963Notes

Reaction equation

HRID 2076963 reaction equation
[NH2:1][C:2]1[S:3][C:4]([O:10][CH3:11])=[C:5]([CH3:9])[C:6]=1[C:7]#[N:8].[C:12]([N:20]=[C:21]=[O:22])(=[O:19])[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1>>[C:7]([C:6]1[C:5]([CH3:9])=[C:4]([O:10][CH3:11])[S:3][C:2]=1[NH:1][C:21]([NH:20][C:12](=[O:19])[C:13]1[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=1)=[O:22])#[N:8]

Participants

3

Reactant 2

HCID 78210Benzoyl isocyanateHCID 574569112-Amino-5-methoxy-4-methylthiophene-3-carbonitrile

Product 1

HCID 67097833HCID 67097833, compound

Procedure

Prepared as in Example 1a from 2-amino-5-methoxy-4-methylthiophene-3-carbonitrile (example 13b) and benzoyl isocyanate as an off-white solid. 1H NMR (400 MHz, DMSO-d6) δ 2.03 (s, 3H), 3.86 (s, 3H), 7.54 (t, J=7.2 Hz, 2H), 7.67 (t, J=7.6 Hz, 1H), 8.01-8.03 (d, J=8.4 Hz, 2H), 11.60 (s, 1H), 12.03 (s, 1H). MS 316 (MH+)

Sources & evidence

ORD record
ord-85de66b1fc9245ed8d5c21c311548ddc
Source dataset
uspto-grants-2011_04
Patent number
US07928111B2

Reaction notes

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