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Diethyl Malonate → HCID 67099102, compound

HRID 1868628
Notes
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Reaction equation

HRID 1868628 reaction equation
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]([CH3:13])([CH3:12])[C:9]([OH:11])=O)=[CH:4][CH:3]=1.C(Cl)(=O)C(Cl)=O.[C:20]([O:28][CH2:29][CH3:30])(=[O:27])[CH2:21][C:22]([O:24][CH2:25][CH3:26])=[O:23].[Mg+2].[Cl-].[Cl-].C([O-])(=O)CC([O-])=O>CN(C=O)C>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]([CH3:13])([CH3:12])[C:9]([CH:21]([C:22]([O:24][CH2:25][CH3:26])=[O:23])[C:20]([O:28][CH2:29][CH3:30])=[O:27])=[O:11])=[CH:6][CH:7]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 5

HCID 7761Diethyl MalonateHCID 9084Malonate IonHCID 65578Oxalyl chlorideHCID 804062-(4-Chlorophenyl)-2-methylpropionic acidHCID 5360315Magnesium Chloride

Product 1

HCID 67099102HCID 67099102, compound

Reagents, catalysts & solvents 1

HCID 6228DimethylformamideSolvent

Procedure

A solution of 2-(4-chlorophenyl)-2-methylpropionic acid (1.99 g, 10.0 mmol, 1.0 eq.) in IPAc (10 mL) was treated with DMF (0.02 mL) and oxalyl chloride (0.92 mL, 10.5 mmol). The resulting solution was stirred at room temperature for 2 hours. In a separate vessel, was charged diethyl malonate (1.91 mL, 12.5 mmol), IPAc (14 mL), and MgCl2 (11.9 g, 12.5 mmol). The resulting malonate slurry was stirred at room temperature for 30 minutes and subsequently treated with TEA (4.7 mL, 33.5 mmol). The resulting suspension was aged at room temperature for 2 hours, cooled to 5° C. and treated with the above acyl chloride solution. The resulting mixture was warmed to ambient temperature and aged for 1 hour. The slurry was quenched with a 5N HCl solution (10 mL) and the phases were split. The organic phase was washed with saturated NaHCO3 solution (2×10 mL) and water (1×10 mL). The organic phase was dried (MgSO4) and concentrated in vacuo to afford an orange oil. MS m/e=341.2 (M+H)+.

Workup

  1. waitThe resulting suspension was aged at room temperature for 2 hours
  2. temperaturecooled to 5° C.
  3. temperatureThe resulting mixture was warmed to ambient temperature and aged for 1 hour
  4. customThe slurry was quenched with a 5N HCl solution (10 mL)
  5. customthe phases were split
  6. washThe organic phase was washed with saturated NaHCO3 solution (2×10 mL) and water (1×10 mL)
  7. dry with materialThe organic phase was dried (MgSO4)
  8. concentrationconcentrated in vacuo
  9. customto afford an orange oil

Sources & evidence

ORD record
ord-49de6bd3743342abbef273385eb46931
Source dataset
uspto-grants-2009_12
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07635715B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes