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4-Bromophenol → 4-(4-Methyl-1-piperazinyl)phenol

HRID 243
Notes
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Reaction equation

HRID 243 reaction equation
CN1CCNCC1.Oc1ccc(Br)cc1>CC(=O)O.CC(=O)O.CC(C)CN1CCN2CCN(CC(C)C)P1N(CC(C)C)CC2.C[Si](C)(C)[N-][Si](C)(C)C.Cc1ccccc1.[Li+].[Pd]>CN1CCN(c2ccc(O)cc2)CC1
ParticipantsConditionsProcedureSources & evidenceReaction notes

Participants

7

Reactant 2

HCID 78084-BromophenolHCID 531671-Methylpiperazine

Product 1

HCID 116224864-(4-Methyl-1-piperazinyl)phenolYield 50.99%

Reagents, catalysts & solvents 4

HCID 2733832Lithium hexamethyldisilazaneReagentHCID 4144353Palladium (II) acetateCatalyst
HCID 4571243
2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo(3.3.3)undecane
Catalyst
HCID 1140TolueneSolvent

Conditions

Temperature
80 °C

Procedure

diacetoxypalladium (0.039 g, 0.17 mmol) was added in one portion to 4-bromophenol (3 g, 17.34 mmol) and 1-methylpiperazine (2.308 mL, 20.81 mmol) in toluene (87 mL) at 25°C under nitrogen. To this was added toluene (87 mL) then a solution of 2,8,9-triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane (0.123 mL, 0.35 mmol) in Toluene (1 mL) and finally 1M LITHIUM BIS(TRIMETHYLSILYL)AMIDE (39.9 mL, 39.88 mmol) in THF was added dropwise over 1 minute. The resulting mixture was stirred at 80 °C for 18 hours. The reaction was allowed to cool to room temperature, SiO2 (23g) was added and evaporated to dryness. The crude product was purified by flash silica chromatography (120g), elution gradient 0 to 10% MeOH in EtOAc. Pure fractions were evaporated to dryness to afford 4-(4-methylpiperazin-1-yl)phenol (1.700 g, 51.0 %) as a beige solid.

Sources & evidence

ORD record
ord-8e16338c39aa405d9e6607bfaa8d820e
Source dataset
750 AstraZeneca ELN dataset
Original link
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Reaction notes

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On this pageParticipantsConditionsProcedureSources & evidenceReaction notes