HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Reaction

Dimethylformamide → ethyl (+/-)-4-formyl-alpha-phenyl-1H-pyrazole-l-acetate

HRID 2380497
Notes
Print preview

Reaction equation

HRID 2380497 reaction equation
P(Cl)(Cl)(Cl)=O.[C:6]1([CH:12]([N:18]2[CH:22]=[CH:21][CH:20]=[N:19]2)[C:13]([O:15][CH2:16][CH3:17])=[O:14])[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1.CN([CH:26]=[O:27])C>>[CH:26]([C:21]1[CH:20]=[N:19][N:18]([CH:12]([C:6]2[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=2)[C:13]([O:15][CH2:16][CH3:17])=[O:14])[CH:22]=1)=[O:27]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

4

Reactant 3

HCID 6228Dimethylformamide2×HCID 24813Phosphorus oxychlorideHCID 4257156ethyl 2-phenyl-2-(1H-pyrazol-1-yl)acetate

Product 1

HCID 10563150ethyl (+/-)-4-formyl-alpha-phenyl-1H-pyrazole-l-acetateYield 89%

Conditions

Temperature
70 °C

Procedure

Phosphorous oxychloride (7.0 mL, 75 mmol) was added dropwise to 14 mL DMF at 0° C. under an atmosphere of N2. The resulting solution was stirred for 0.5 hour and then a solution of ethyl (±)-α-phenyl-1H-pyrazole-1-acetate (5.76 g, 25 mmol) in 5 mL DMF was added dropwise. The resulting orange solution was warmed to 70° C. for 16 hours. The reaction mixture was cooled to 0° C. and carefully quenched with saturated Na2CO3 solution. The reaction mixture was partitioned between water and ether and the ether layer was dried over MgSO4, filtered, and concentrated to give an orange oil. Chromatography (15% EtOAc/hexanes on silica) gave 5.73 g (89%) of the title compound as a yellow/green oil which solidified upon standing; mp 68°-70° C.

Workup

  1. temperatureThe reaction mixture was cooled to 0° C.
  2. customcarefully quenched with saturated Na2CO3 solution
  3. customThe reaction mixture was partitioned between water and ether
  4. dry with materialthe ether layer was dried over MgSO4
  5. filtrationfiltered
  6. concentrationconcentrated
  7. customto give an orange oil

Sources & evidence

ORD record
ord-36028fd8caa84f6ca6a4d8ef22e2a07b
Source dataset
uspto-grants-1994_11
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US05366987

Reaction notes

Loading…

On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes