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Methyl propiolate → 4-(Methoxycarbonyl)-alpha-methyl-1H-1,2,3-triazole-1-acetic acid

HRID 243726
Notes
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Reaction equation

HRID 243726 reaction equation
[C:1]([O:5][CH3:6])(=[O:4])[C:2]#[CH:3].[N:7]([CH:10]([CH3:18])[C:11]([O:13]C(C)(C)C)=[O:12])=[N+:8]=[N-:9]>C1(C)C=CC=CC=1>[CH3:6][O:5][C:1]([C:2]1[N:9]=[N:8][N:7]([CH:10]([CH3:18])[C:11]([OH:13])=[O:12])[CH:3]=1)=[O:4]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

4

Reactant 2

HCID 13536Methyl propiolateHCID 86634922Tert-butyl 2-azidopropanate

Product 1

HCID 120338024-(Methoxycarbonyl)-alpha-methyl-1H-1,2,3-triazole-1-acetic acid

Reagents, catalysts & solvents 1

HCID 1140TolueneSolvent

Conditions

Temperature
100 °C

Procedure

To a solution of 1.87 g (22.3 mmol) of methyl prop-2-ynoate in 40 mL of toluene was added 1.9 g (11 mmol) of tert-butyl 2-azidopropanate. The reaction mixture was heated at 100° C. for 3 h then cooled to ambient temperature. All volatiles were removed under reduced pressure and the crude residue purified by column chromatography on silica gel eluting with a 5 to 25% acetone in hexanes gradient to afford the title compounds.

On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Workup

  1. temperaturethen cooled to ambient temperature
  2. customAll volatiles were removed under reduced pressure
  3. customthe crude residue purified by column chromatography on silica gel eluting with a 5 to 25% acetone in hexanes gradient

Sources & evidence

ORD record
ord-938a2da676864f3aa9dd3fffe89818ce
Source dataset
uspto-grants-2014_02
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08653260B2

Reaction notes

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