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Diisopropylamine → [2-Chloro-3-(trifluoromethyl)phenyl]methyl isocyanide

HRID 554098
Notes
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Reaction equation

HRID 554098 reaction equation
[Cl:1][C:2]1[C:7]([C:8]([F:11])([F:10])[F:9])=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:12][NH:13][CH:14]=O.C(NC(C)C)(C)C.P(Cl)(Cl)(Cl)=O.C(=O)([O-])O.[Na+]>ClCCl>[Cl:1][C:2]1[C:7]([C:8]([F:10])([F:11])[F:9])=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:12][N+:13]#[C-:14]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 7912DiisopropylamineHCID 24813Phosphorus oxychlorideHCID 516892Sodium BicarbonateHCID 86617531{[2-Chloro-3-(trifluoromethyl)phenyl]methyl}formamide

Product 1

HCID 86617532[2-Chloro-3-(trifluoromethyl)phenyl]methyl isocyanideYield 106.6%

Reagents, catalysts & solvents 1

HCID 6344
Dichloromethane
Solvent

Conditions

Temperature
3.5 °C

Procedure

A solution of {[2-chloro-3-(trifluoromethyl)phenyl]methyl}formamide (0.67 g, 2.82 mmol) in anhydrous dichloromethane (20 ml) was cooled under argon in an ice-water bath before the addition of diisopropylamine (1.78 ml, 12.7 mmol) followed by phosphorus oxychloride (0.393 ml, 4.23 mmol). The reaction was stirred at between 2-5° C. for 2 hrs. The mixture was then reduced in vacuo and the residue treated with saturated aqueous sodium hydrogen carbonate (20 ml) and extracted with dichloromethane (20 ml). The organic layer was passed through a hydrophobic frit and the reduced in vacuo to give a yellow solid. Further drying in vacuo gave [2-chloro-3-(trifluoromethyl)phenyl]methyl isocyanide as an orange gum (0.66 g) which was used without further purification.

Workup

  1. extractionextracted with dichloromethane (20 ml)
  2. customto give a yellow solid
  3. customFurther drying in vacuo

Sources & evidence

ORD record
ord-8a7f7324880e447caf60995de0fbbff2
Source dataset
uspto-grants-2011_11
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08048907B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes