Isopropyl isocyanate → HCID 57659246, compound
Reaction equation
[N+:1]([C:4]1[CH:5]=[C:6]([S:10]([CH3:13])(=[NH:12])=[O:11])[CH:7]=[CH:8][CH:9]=1)([O-:3])=[O:2].[N+](C1C=C(S(C)(=NC(OCC)=O)=O)C=CC=1)([O-])=O.[CH:32]([N:35]=[C:36]=[O:37])([CH3:34])[CH3:33]>C1(C)C=CC=CC=1>[N+:1]([C:4]1[CH:5]=[C:6]([S:10]([CH3:13])(=[N:12][C:36](=[O:37])[NH:35][CH:32]([CH3:34])[CH3:33])=[O:11])[CH:7]=[CH:8][CH:9]=1)([O-:3])=[O:2]Participants
5
Reactant 3
Product 1
Reagents, catalysts & solvents 1
Conditions
- Temperature
- 104 °C
Procedure
8.24 g (41.2 mmol) (RS)-S-(3-nitrophenyl)-S-methylsulfoximide (Intermediate 4, step 1) in 370 ml toluene were treated with 13.6 mL (138.3 mmol) isopropyl isocyanate. The mixture was stirred under argon at 104° C. for 5 hours and at room temperature for 60 hours. 4.5 mL (46 mmol) isopropyl isocyanate were added and the mixture was stirred under argon at 104° C. for 6 hours and at room temperature for 16 hours. 4.5 ml (46 mmol) isopropyl isocyanate were added and the mixture was stirred under argon at 104° C. for 7 hours and at room temperature for 17 hours. The mixture was cooled with ice for 40 minutes.
Workup
- stirringthe mixture was stirred under argon at 104° C. for 6 hours and at room temperature for 16 hours
- stirringthe mixture was stirred under argon at 104° C. for 7 hours and at room temperature for 17 hours
- temperatureThe mixture was cooled with ice for 40 minutes
Sources & evidence
- ORD record
- ord-6ca4db9cc53046528123efe3e91839b2
- Source dataset
- uspto-grants-2011_08
- Patent number
- US08003655B2
Reaction notes
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