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1,1,3,3-Tetramethylguanidine → Methoxycarbonylamino-(tetrahydropyran-4-ylidene)-acetic acid methyl ester

HRID 1185938
Notes
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Reaction equation

HRID 1185938 reaction equation
[CH3:1][O:2][C:3]([N:5](P(OC)(OC)=O)[CH:6]([CH3:10])[C:7]([O-:9])=[O:8])=[O:4].[CH3:17]N(C)C(N(C)C)=N.[O:25]1[CH2:30][CH2:29]C(=O)[CH2:27][CH2:26]1>O1CCCC1>[CH3:17][O:9][C:7](=[O:8])[C:6]([NH:5][C:3]([O:2][CH3:1])=[O:4])=[C:10]1[CH2:29][CH2:30][O:25][CH2:26][CH2:27]1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 664601,1,3,3-TetramethylguanidineHCID 121599Tetrahydro-4H-pyran-4-oneHCID 86672675N-methoxycarbonyl-2-methyl-(dimethylphosphono)glycinate

Product 1

HCID 59611496Methoxycarbonylamino-(tetrahydropyran-4-ylidene)-acetic acid methyl ester

Reagents, catalysts & solvents 1

HCID 8028TetrahydrofuranSolvent

Conditions

Temperature
-78 °C

Procedure

A solution of N-methoxycarbonyl-2-methyl-(dimethylphosphono)glycinate (1.45 g, 5.68 mmol) in tetrahydrofuran (22 mL) was cooled to −78° C. 1,1,3,3-Tetramethylguanidine (0.680 mL, 5.42 mmol) was added and the resulting solution was stirred at −78° C. for 30 minutes. Tetrahydropyran-4-one (0.500 mL, 5.42 mmol) was added and the reaction was stirred at −78° C. for 1 hour. The ice bath was removed and the reaction was allowed to warm to room temperature overnight. In the morning, the reaction was diluted with ethyl acetate. The organics were washed with 1N aqueous HCl and brine, dried (MgSO4) and concentrated. The crude residue was purified by flash chromatography to yield methoxycarbonylamino-(tetrahydropyran-4-ylidene)-acetic acid methyl ester. 1H-NMR: 400 MHz, (CDCl3) δ: 5.94 (br s, 1H), 3.80-3.74 (m, 7H), 3.71 (s, 3H), 2.95-2.91 (m, 2H), 2.45-2.41 (m, 2H) ppm.

Workup

  1. stirringthe reaction was stirred at −78° C. for 1 hour
  2. customThe ice bath was removed
  3. temperatureto warm to room temperature overnight
  4. additionIn the morning, the reaction was diluted with ethyl acetate
  5. washThe organics were washed with 1N aqueous HCl and brine
  6. dry with materialdried (MgSO4)
  7. concentrationconcentrated
  8. customThe crude residue was purified by flash chromatography

Sources & evidence

ORD record
ord-707fc14adaf44fac981601191839c26b
Source dataset
uspto-grants-2014_03
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08669234B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes