tert-Butylacetic acid → HCID 59420859, compound

HRID 499208Notes

Reaction equation

HRID 499208 reaction equation
[C:1]([C:5]1[CH:6]=[C:7]([NH:17][C:18]([NH:20][C:21]2[CH:26]=[CH:25][C:24]([N:27]3[CH2:32][CH2:31][NH:30][CH2:29][CH2:28]3)=[CH:23][CH:22]=2)=[O:19])[N:8]([C:10]2[CH:15]=[CH:14][C:13]([CH3:16])=[CH:12][CH:11]=2)[N:9]=1)([CH3:4])([CH3:3])[CH3:2].[CH3:33][C:34]([CH3:40])([CH3:39])[CH2:35][C:36](O)=[O:37].O.ON1C2C=CC=CC=2N=N1.N=C=N>C(Cl)Cl>[C:1]([C:5]1[CH:6]=[C:7]([NH:17][C:18]([NH:20][C:21]2[CH:26]=[CH:25][C:24]([N:27]3[CH2:28][CH2:29][N:30]([C:36](=[O:37])[CH2:35][C:34]([CH3:40])([CH3:39])[CH3:33])[CH2:31][CH2:32]3)=[CH:23][CH:22]=2)=[O:19])[N:8]([C:10]2[CH:15]=[CH:14][C:13]([CH3:16])=[CH:12][CH:11]=2)[N:9]=1)([CH3:4])([CH3:2])[CH3:3]

Participants

6

Reactant 4

HCID 14057tert-Butylacetic acidHCID 160435CarbodiimideHCID 27960291-Hydroxybenzotriazole hydrateHCID 594208681-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-(4-piperazin-1-yl-phenyl)-urea

Product 1

HCID 59420859HCID 59420859, compound

Reagents, catalysts & solvents 1

HCID 6344DichloromethaneSolvent

Procedure

The title compound is prepared by reaction of 1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-(4-piperazin-1-yl-phenyl)-urea (0.20 g, 0.46 mmol) with 0.51 mmol of 3,3-Dimethyl-butyric acid, (0.06 g, 0.46 mmol) of 1-Hydroxybenzotriazole hydrate and (0.8 g, 0.46 mmol) of polymer supported carbodiimide, dissolved in 16 mL of CH2Cl2. Mixture is stirred at r.t.o.n. It is filtered and the resin is washed with CH2Cl2 Solvent is evaporated and the residue is purified with an SCX cartridge eluting with NH4OH/CH3OH 2 N. ES+(m/z) 531 [M+H].

Workup

  1. filtrationIt is filtered
  2. washthe resin is washed with CH2Cl2 Solvent
  3. customis evaporated
  4. customthe residue is purified with an SCX cartridge
  5. washeluting with NH4OH/CH3OH 2 N

Sources & evidence

ORD record
ord-be63d1be5c5a4cdd9f329d696b4312f7
Source dataset
uspto-grants-2010_08
Patent number
US07767674B2

Reaction notes

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