1,3-Dichloro-2-isocyanatobenzene → HCID 57710290, compound

HRID 1038687Notes

Reaction equation

HRID 1038687 reaction equation
[CH3:1][NH:2][C:3]1[N:8]=[CH:7][N:6]=[C:5]([NH:9][C:10]2[CH:11]=[C:12]([CH:15]=[CH:16][CH:17]=2)[C:13]#[N:14])[CH:4]=1.[Cl:18][C:19]1[CH:24]=[CH:23][CH:22]=[C:21]([Cl:25])[C:20]=1[N:26]=[C:27]=[O:28]>O1CCOCC1>[C:13]([C:12]1[CH:11]=[C:10]([NH:9][C:5]2[N:6]=[CH:7][N:8]=[C:3]([N:2]([CH3:1])[C:27]([NH:26][C:20]3[C:19]([Cl:18])=[CH:24][CH:23]=[CH:22][C:21]=3[Cl:25])=[O:28])[CH:4]=2)[CH:17]=[CH:16][CH:15]=1)#[N:14]

Participants

4

Reactant 2

HCID 6045371,3-Dichloro-2-isocyanatobenzeneHCID 66669942HCID 66669942, compound

Product 1

HCID 57710290HCID 57710290, compound

Reagents, catalysts & solvents 1

HCID 312751,4-DioxaneSolvent

Conditions

Temperature
80 °C

Procedure

A mixture of 3-(6-methylamino-pyrimidin-4-ylamino)-benzonitrile (450.5 mg, 2 mmol), 2,6-dichlorophenyl isocyanate (413.6 mg, 2.2 mmol) in dry dioxane (5 mL) is shaken for 1.5 h at 80° C. and then evaporated in vacuo. The residue is suspended in half-concentrated aqueous K2CO3 solution, filtered off, washed with H2O and acetone and dried in vacuo to afford the title compound.

Workup

  1. customevaporated in vacuo
  2. filtrationfiltered off
  3. washwashed with H2O and acetone
  4. customdried in vacuo

Sources & evidence

ORD record
ord-f24f461b208447e1bf4a3dcf74b1cbd7
Source dataset
uspto-grants-2013_10
Patent number
US08552002B2

Reaction notes

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