Hydrochloric Acid → HCID 89650707, compound

HRID 1500062Notes

Reaction equation

HRID 1500062 reaction equation
[F:1][C:2]1[C:16]([N:17]([CH3:37])[C:18]([C:20]2[N:24]([CH3:25])[N:23]=[C:22]([C:26]([F:32])([F:31])[C:27]([F:30])([F:29])[F:28])[C:21]=2[C:33]([F:36])([F:35])[F:34])=[O:19])=[CH:15][CH:14]=[C:13]([F:38])[C:3]=1[CH2:4][NH:5]C(=O)OC(C)(C)C.[ClH:39]>O1CCOCC1>[Cl-:39].[F:1][C:2]1[C:16]([N:17]([CH3:37])[C:18]([C:20]2[N:24]([CH3:25])[N:23]=[C:22]([C:26]([F:32])([F:31])[C:27]([F:30])([F:28])[F:29])[C:21]=2[C:33]([F:34])([F:35])[F:36])=[O:19])=[CH:15][CH:14]=[C:13]([F:38])[C:3]=1[CH2:4][NH3+:5]

Participants

4

Reactant 2

HCID 313Hydrochloric AcidHCID 131734264HCID 131734264, compound

Product 1

HCID 89650707HCID 89650707, compound

Reagents, catalysts & solvents 1

HCID 312751,4-DioxaneSolvent

Procedure

A solution of tert-butyl [2,6-difluoro-3-(methyl{[1-methyl-3-(pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)benzyl]carbamate (1.2 g, 21 mmol) in HCl (21 ml of a 4N solution in 1,4-dioxane, 40 eq.) was stirred at room temperature for 6.5 h and then concentrated under reduced pressure. This gave [2,6-difluoro-3-(methyl{[1-methyl-3-(pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)phenyl]methanaminium chloride (954 mg, 89%) which was reacted further without additional purification.

Workup

  1. concentrationconcentrated under reduced pressure
  2. customThis gave [2,6-difluoro-3-(methyl{[1-methyl-3-(pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)phenyl]methanaminium chloride (954 mg, 89%) which was reacted further without additional purification

Sources & evidence

ORD record
ord-00b643688d9e43ccabbdc91cea61a288
Source dataset
uspto-grants-2015_12
Patent number
US09204645B2

Reaction notes

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