3-Aminobenzonitrile → HCID 68690951, compound

HRID 1991427Notes

Reaction equation

HRID 1991427 reaction equation
[NH2:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][CH:9]=1)[C:5]#[N:6].Cl[CH2:11][C:12]([N:14]=[C:15]=[O:16])=[O:13].C1CCN2C(=NCCC2)CC1>O1CCOCC1>[O:16]=[C:15]1[NH:14][C:12](=[O:13])[CH2:11][N:1]1[C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][CH:9]=1)[C:5]#[N:6]

Participants

5

Reactant 3

HCID 167023-AminobenzonitrileHCID 78209Chloroacetyl isocyanateHCID 811841,8-Diazabicyclo(5.4.0)undec-7-ene

Product 1

HCID 68690951HCID 68690951, compound

Reagents, catalysts & solvents 1

HCID 312751,4-DioxaneSolvent

Procedure

g of 3-Aminobenzonitril were dissolved in 60 ml Dioxan and 0.8 ml of Chloro-acetyl isocyanate added. The reaction mixture was stirred at rt for 2 h. 2.5 ml of DBU were added and the reaction mixture stirred at rt for 40 h. The product was extracted with DCM. MS(ISO): 202.2 (MH+)

Workup

  1. stirringthe reaction mixture stirred at rt for 40 h
  2. extractionThe product was extracted with DCM

Sources & evidence

ORD record
ord-82e00839e4a245399a679609bc3112da
Source dataset
uspto-grants-2010_01
Patent number
US07645776B2

Reaction notes

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