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Dimethylformamide → 4-Bromo-2-chloromethyl-3,5-dimethylpyridine

HRID 722086
Notes
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Reaction equation

HRID 722086 reaction equation
[Cl:1][CH2:2][C:3]1[C:8]([CH3:9])=[C:7](OC)[C:6]([CH3:12])=[CH:5][N:4]=1.P(Br)(Br)[Br:14].CN(C=O)C.[NH4+].[OH-]>>[Br:14][C:7]1[C:6]([CH3:12])=[CH:5][N:4]=[C:3]([CH2:2][Cl:1])[C:8]=1[CH3:9]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 6228DimethylformamideHCID 14923Ammonium HydroxideHCID 24614Phosphorus tribromideHCID 8199922-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine

Product 1

HCID 167363514-Bromo-2-chloromethyl-3,5-dimethylpyridineYield 44.1%

Conditions

Temperature
80 °C

Procedure

A suspension of 2-chloromethyl-4-methoxy-3,5-dimethyl-pyridine (3.24 g, 14.6 mmol) in PBr3 (8.0 ml, 85.1 mmol, 5.8 equiv.) was heated to 80° C. under nitrogen. A catalytic amount of DMF (0.50 ml, 6.4 mmol, 0.44 equiv.) was added, whereupon the suspension rapidly turned into an orange solution. After 40 min., the reaction was still incomplete as judged by HPLC. The temperature was raised to 110° C. and the reaction was prolonged for 30 min, at which point it was complete. The mixture was poured over ice, made basic with conc. aq. NH4OH and extracted into EtOAc. Washing with water, drying (brine, MgSO4) and concentration gave the title compound as a pink solid (1.51 g, 44%) containing 10% of an impurity by 1H-NMR. The crude was used without further purification. 1H-NMR (CDCl3) δ 8.19 (s, 1H), 4.59 (s, 2H), 2.48 (s, 3H), 2.37 (s, 3H).

Workup

  1. temperatureThe temperature was raised to 110° C.
  2. waitthe reaction was prolonged for 30 min, at which point it
  3. additionThe mixture was poured over ice
  4. extractionextracted into EtOAc
  5. washWashing with water
  6. customdrying
  7. concentration(brine, MgSO4) and concentration

Sources & evidence

ORD record
ord-ba44ebb6d816483ca741032cb742e06e
Source dataset
uspto-grants-2006_11
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07138401B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes