2,3-Dichlorophenyl Isothiocyanate → HCID 86603535, compound

HRID 645650Notes

Reaction equation

HRID 645650 reaction equation
[Cl:1][C:2]1[C:7]([Cl:8])=[CH:6][CH:5]=[CH:4][C:3]=1[N:9]=[C:10]=[S:11].[CH3:12][O:13][C:14]1[CH:19]=[CH:18][C:17]([N:20]2[C:24]([C:25]#[N:26])=[CH:23][C:22]([CH3:27])=[N:21]2)=[CH:16][CH:15]=1>>[Cl:1][C:2]1[C:7]([Cl:8])=[CH:6][CH:5]=[CH:4][C:3]=1[NH:9][C:10]([NH:26][CH2:25][C:24]1[N:20]([C:17]2[CH:18]=[CH:19][C:14]([O:13][CH3:12])=[CH:15][CH:16]=2)[N:21]=[C:22]([CH3:27])[CH:23]=1)=[S:11]

Participants

3

Reactant 2

HCID 27962812,3-Dichlorophenyl IsothiocyanateHCID 68584121HCID 68584121, compound

Product 1

HCID 86603535HCID 86603535, compoundYield 76%

Procedure

Prepared in 76% yield from 2,3-dichlorophenylisothiocyanate and the product of Example 204A according to the procedure described for Example 153B. MS (ESI+) m/z 421.1 (M+H)+; 1H NMR (DMSO-d6) δ 2.26 (s, 3H), 3.81 (s, 3H), 4.65 (s, 2H), 6.25 (s, 1H), 7.05 (d, J=9.0 Hz, 2H), 7.34 (dd, J=8.1, 8.0 Hz, 1H), 7.41 (d, J=8.8 Hz, 2H), 7.46-7.50 (m, 1H), 7.71 (d, J=7.5 Hz, 1H), 8.43 (br s, 1H), 9.41 (br s, 1H).

Sources & evidence

ORD record
ord-847af47c6db641efa332787bc0b41c59
Source dataset
uspto-grants-2010_04
Patent number
US07704997B1

Reaction notes

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