Hexyl isocyanate → HCID 16747772, compound

HRID 598198Notes

Reaction equation

HRID 598198 reaction equation
[CH3:1][N:2]1[C:10]2[C:5](=[N:6][CH:7]=[CH:8][CH:9]=2)[NH:4][C:3]1=[O:11].[N:12]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])=[C:13]=[O:14]>O1CCOCC1>[CH2:15]([NH:12][C:13]([N:4]1[C:5]2=[N:6][CH:7]=[CH:8][CH:9]=[C:10]2[N:2]([CH3:1])[C:3]1=[O:11])=[O:14])[CH2:16][CH2:17][CH2:18][CH2:19][CH3:20]

Participants

4

Reactant 2

HCID 75659Hexyl isocyanateHCID 8542361-Methyl-1h-imidazo[4,5-b]pyridin-2(3h)-one

Product 1

HCID 16747772HCID 16747772, compound

Reagents, catalysts & solvents 1

HCID 312751,4-DioxaneSolvent

Procedure

1-Methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one (75 mg, 0.5 mmol) and 1-isocyanatohexane (64 mg, 0.5 mmol) were stirred at 80° C. in 3.5 ml of dioxane for 4 h. The reaction mixture was concentrated and purified by means of preparative HPLC (PR18, acetonitrile/water 0.1% TFA). Yield: 40 mg (29%), M+H+: 277.16.

Workup

  1. concentrationThe reaction mixture was concentrated
  2. custompurified by means of preparative HPLC (PR18, acetonitrile/water 0.1% TFA)

Sources & evidence

ORD record
ord-ce463efdb43849f093bb4cc2036bd1ce
Source dataset
uspto-grants-2011_03
Patent number
US07897616B2

Reaction notes

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