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Phosphorus oxychloride → Ethyl 2-(7-chloro-3-mesityl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetate

HRID 890168
Notes
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Reaction equation

HRID 890168 reaction equation
P(Cl)(Cl)([Cl:3])=O.[C:6]1([CH3:32])[CH:11]=[C:10]([CH3:12])[CH:9]=[C:8]([CH3:13])[C:7]=1[C:14]1[C:15]([CH3:31])=[N:16][N:17]2[C:22](=O)[C:21]([CH2:24][C:25]([O:27][CH2:28][CH3:29])=[O:26])=[C:20]([CH3:30])[NH:19][C:18]=12.C(=O)(O)[O-].[Na+]>>[Cl:3][C:22]1[N:17]2[N:16]=[C:15]([CH3:31])[C:14]([C:7]3[C:8]([CH3:13])=[CH:9][C:10]([CH3:12])=[CH:11][C:6]=3[CH3:32])=[C:18]2[N:19]=[C:20]([CH3:30])[C:21]=1[CH2:24][C:25]([O:27][CH2:28][CH3:29])=[O:26]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

4

Reactant 3

HCID 24813Phosphorus oxychlorideHCID 516892Sodium BicarbonateHCID 178470721HCID 178470721, compound

Product 1

HCID 22249832Ethyl 2-(7-chloro-3-mesityl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)acetateYield 103.2%

Procedure

Phosphorus oxychloride (1.7 g) was added to ethyl 2-(3-mesityl-2,5-dimethyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)acetate (120 mg) of Reference Example 27 at room temperature, followed by stirring for one hour under heating under reflux. After cooling, the reaction solution was poured onto ice. The reaction mixture was basified with an aqueous saturated solution of sodium bicarbonate, and then extracted twice with ethylacetate. The organic layer was washed with brine, and then dried over anhydrous magnesium sulfate. The solvent was evaporated, to give the title compound (130 mg) as a reddish brown oil.

Workup

  1. temperatureunder heating
  2. temperatureunder reflux
  3. temperatureAfter cooling
  4. additionthe reaction solution was poured onto ice
  5. extractionextracted twice with ethylacetate
  6. washThe organic layer was washed with brine
  7. dry with materialdried over anhydrous magnesium sulfate
  8. customThe solvent was evaporated

Sources & evidence

ORD record
ord-c5a067c695274e95995392a136bebdd1
Source dataset
uspto-grants-2006_02
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US06995163B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes