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Tetrahydrofuran → 2-Methyl-N-(2,2,2-trifluoro-ethyl)-malonamic acid ethyl ester

HRID 1372933
Notes
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Reaction equation

HRID 1372933 reaction equation
[CH2:1]([O:3][C:4](=[O:10])[CH:5]([CH3:9])[C:6]([OH:8])=O)[CH3:2].O1CCCC1.[F:16][C:17]([F:21])([F:20])[CH2:18][NH2:19].Cl.CN(C)CCCN=C=NCC.C(N(CC)C(C)C)(C)C>Cl>[CH2:1]([O:3][C:4](=[O:10])[CH:5]([CH3:9])[C:6]([NH:19][CH2:18][C:17]([F:21])([F:20])[F:16])=[O:8])[CH3:2]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 5

HCID 8028TetrahydrofuranHCID 9773Ethanamine, 2,2,2-trifluoro-HCID 81531DiisopropylethylamineHCID 2959722-Methyl-malonic acid monoethyl esterHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride

Product 1

HCID 86760353
2-Methyl-N-(2,2,2-trifluoro-ethyl)-malonamic acid ethyl ester
Yield 61%

Reagents, catalysts & solvents 1

HCID 313Hydrochloric AcidSolvent

Procedure

To a solution of 1.56 g (10.6 mmol) methyl-malonic acid monoethyl ester in 20 ml of tetrahydrofuran 1.06 g (10.6 mmol) of 2,2,2-trifluoroethylamine, 2.05 g (10.6 mmol) of N-(3-dimethylaminopropyl)-N′-ethylcarbodiimide hydrochloride, 1.44 g (10.6 mmol) of 1-hydroxybenzotrizole hydrate and 2.75 g (21.2 mmol) of N,N-diisopropyl-ethylamine were added. The mixture was stirred at room temperature for 18 h. The mixture was poured onto 0.5 N HCl (50 ml) and afterwards extracted with dichloromethane (three times 50 ml). The combined organic layers were extracted with 0.5 N aqueous NaHCO3 solution, dried (MgSO4) and evaporated on the rotary evaporator. The residue was purified by column filtration (hexane/ethyl acetate=2:1) to yield 1.48 g (61%) of the title compound as white crystalline solid.

Workup

  1. extractionafterwards extracted with dichloromethane (three times 50 ml)
  2. extractionThe combined organic layers were extracted with 0.5 N aqueous NaHCO3 solution
  3. dry with materialdried (MgSO4)
  4. customevaporated on the rotary evaporator
  5. filtrationThe residue was purified by column filtration (hexane/ethyl acetate=2:1)

Sources & evidence

ORD record
ord-bbea5bcae35741a28bc490115381b2fa
Source dataset
uspto-grants-2007_01
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07160875B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes