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Bromoform → 2,6-Dibromo-[1,2,4]triazolo[1,5-a]pyridine

HRID 1844448
Notes
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Reaction equation

HRID 1844448 reaction equation
[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[N:6]([N:8]=[C:9](N)[N:10]=2)[CH:7]=1.N([O-])=O.[Na+].C(Br)(Br)[Br:17].ClC(Cl)C(O)=O>[Br-].C([N+](CC)(CC)CC)C1C=CC=CC=1.O.ClCCl>[Br:17][C:9]1[N:10]=[C:5]2[CH:4]=[CH:3][C:2]([Br:1])=[CH:7][N:6]2[N:8]=1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

8

Reactant 4

HCID 5558BromoformHCID 6597Dichloroacetic AcidHCID 23668193Sodium NitriteHCID 252159406-Bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Product 1

HCID 683908752,6-Dibromo-[1,2,4]triazolo[1,5-a]pyridineYield 26%

Reagents, catalysts & solvents 3

HCID 165294
Benzyltriethylammonium bromide
Catalyst
HCID 962WaterSolvent2×
HCID 6344DichloromethaneSolvent

Conditions

Temperature
25 °C

Procedure

A mixture of 6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-amine (20.86 g, 97.9 mmol), sodium nitrite (67.6 g, 979 mmol) and benzyltriethylammonium bromide (53.3 g, 196 mmol) in bromoform (1.47 kg, 508 ml, 5.81 mol) was stirred for 30 minutes at 25° C. Then dichloroacetic acid (25.3 g, 16.2 ml, 196 mmol) was added and the mixture was stirred for 20 hours at 25° C. under exclusion of light. 600 ml of water were added to the mixture and stirred for 30 minutes. The mixture was diluted with water and dichloromethane, filtrated over dicalite and the filtrate extracted 3 times with dichloromethane. The organic layers were combined, washed with water, dried over magnesium sulfate, filtrated and evaporated to dryness under reduced pressure. The crude material was purified by flash chromatography in 2 portions over 2×70 g silica columns using dichloromethane/methanol 5% as eluent, affording 2,6-dibromo-[1,2,4]triazolo[1,5-a]pyridine (7 g, 26%) as light brown solid. Mp.: 201° C. MS: m/z=277.7/279.9 (M+H+).

Workup

  1. stirringthe mixture was stirred for 20 hours at 25° C. under exclusion of light
  2. stirringstirred for 30 minutes
  3. filtrationfiltrated over dicalite
  4. extractionthe filtrate extracted 3 times with dichloromethane
  5. washwashed with water
  6. dry with materialdried over magnesium sulfate
  7. filtrationfiltrated
  8. customevaporated to dryness under reduced pressure
  9. customThe crude material was purified by flash chromatography in 2 portions over 2×70 g silica columns

Sources & evidence

ORD record
ord-fc03e87c4bbc4542b1ab225825813f22
Source dataset
uspto-grants-2015_02
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08946427B2

Reaction notes

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