Hydrochloric Acid → HCID 59389640, compound

HRID 2358046Notes

Reaction equation

HRID 2358046 reaction equation
[N:1]1([C:7]2[C:8]([C:15]([F:18])([F:17])[F:16])=[C:9]([CH:12]=[CH:13][CH:14]=2)[C:10]#[N:11])[CH2:6][CH2:5][NH:4][CH2:3][CH2:2]1.C(=O)([O-])[O-].[K+].[K+].I[CH2:26][CH2:27][CH3:28].Cl>C(#N)C>[CH2:26]([N:4]1[CH2:5][CH2:6][N:1]([C:7]2[C:8]([C:15]([F:16])([F:18])[F:17])=[C:9]([CH:12]=[CH:13][CH:14]=2)[C:10]#[N:11])[CH2:2][CH2:3]1)[CH2:27][CH3:28]

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 11430Potassium CarbonateHCID 336431-IodopropaneHCID 57448042HCID 57448042, compound

Product 1

HCID 59389640HCID 59389640, compound

Reagents, catalysts & solvents 1

HCID 6342AcetonitrileSolvent

Procedure

Preparation according to Example 1: 3-piperazin-1-yl-2-(trifluoromethyl)benzonitrile (0.83 g, 3.25 mmol), acetonitrile (40 ml), potassium carbonate (0.88 g, 8.1 mmol) and 1-iodopropane (0.255 ml, 3.25 mmol). Yield: 0.74 g (77%). The amine was converted to the hydrochloric acid salt and recrystallized from ethanol/diethyl ether: M.p. 234-236° C. MS m/z (relative intensity, 70 eV) 297 (M+, 15), 269 (14), 268 (bp), 225 (26), 177 (8).

Workup

  1. customPreparation
  2. customrecrystallized from ethanol/diethyl ether

Sources & evidence

ORD record
ord-3b0359dc35dd4175a676bdf97943356b
Source dataset
uspto-grants-2010_07
Patent number
US07763639B2

Reaction notes

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