Hydrochloric Acid → HCID 68457685, compound

HRID 499199Notes

Reaction equation

HRID 499199 reaction equation
C(OC([N:8]1[CH2:13][CH2:12][N:11]([CH2:14][C:15]2[CH:20]=[CH:19][C:18]([NH:21][C:22]([NH:24][C:25]3[N:26]([CH2:34][CH3:35])[N:27]=[C:28]([C:30]([CH3:33])([CH3:32])[CH3:31])[CH:29]=3)=[O:23])=[CH:17][CH:16]=2)[CH2:10][CH2:9]1)=O)(C)(C)C.[ClH:36].O1CCOCC1>ClCCl>[ClH:36].[ClH:36].[C:30]([C:28]1[CH:29]=[C:25]([NH:24][C:22]([NH:21][C:18]2[CH:19]=[CH:20][C:15]([CH2:14][N:11]3[CH2:12][CH2:13][NH:8][CH2:9][CH2:10]3)=[CH:16][CH:17]=2)=[O:23])[N:26]([CH2:34][CH3:35])[N:27]=1)([CH3:31])([CH3:32])[CH3:33]

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 68453919HCID 68453919, compound

Product 1

HCID 68457685HCID 68457685, compoundYield 99%

Reagents, catalysts & solvents 1

HCID 6344DichloromethaneSolvent

Procedure

4-{4-[3-(5-tert-Butyl 2-ethyl-2H-pyrazol-3-yl)-ureido]-benzyl}-piperazine-1-carboxylic acid tert-butyl ester (105 mg, 0.216 mmol) is dissolved in dichloromethane (3 mL) and a 4M solution of HCl in 1,4-dioxane (0.86 mL, 3.5 mmol) is added and the mixture stirred at room temperature for 2 hours. After removal of solvent, the residue is triturated with diethyl ether and air-dried to obtain the title compound (99 mg, 99% yield, ES+(m/z) 385 [M+H]).

Workup

  1. customAfter removal of solvent
  2. customthe residue is triturated with diethyl ether
  3. customair-dried

Sources & evidence

ORD record
ord-b1df297ffada4362a091e76e107ce186
Source dataset
uspto-grants-2010_08
Patent number
US07767674B2

Reaction notes

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