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Ethyl 4-piperidinecarboxylate → Ethyl 1-carbamothioylpiperidine-4-carboxylate

HRID 2221636
Notes
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Reaction equation

HRID 2221636 reaction equation
[C:1]([N:8]1C=CN=C1)([N:3]1[CH:7]=[CH:6]N=[CH:4]1)=[S:2].N1CC[CH:16]([C:19]([O:21][CH2:22][CH3:23])=[O:20])[CH2:15]C1>O1CCCC1>[NH2:8][C:1]([N:3]1[CH2:4][CH2:15][CH:16]([C:19]([O:21][CH2:22][CH3:23])=[O:20])[CH2:6][CH2:7]1)=[S:2]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

4

Reactant 2

HCID 70770Ethyl 4-piperidinecarboxylateHCID 802641,1'-Thiocarbonyldiimidazole

Product 1

HCID 23076419Ethyl 1-carbamothioylpiperidine-4-carboxylateYield 27.5%

Reagents, catalysts & solvents 1

HCID 8028TetrahydrofuranSolvent

Procedure

To a solution (200 mL) of 1,1′-thiocarbonyldiimidazole (15.0 g) in tetrahydrofuran was added ethyl piperidine-4-carboxylate (12.59 g) at room temperature, and the mixture was stirred at room temperature for 3 hrs and then at 55° C. for 1 hr. Tetrahydrofuran (ca. 100 mL) was distilled off under reduced pressure and 2M ammonia methanol solution (150 mL) was added. After stirring the reaction mixture at room temperature for 15 hrs, the mixture was concentrated. The residue was diluted with ethyl acetate and washed successively with water and saturated brine. The organic layer was dried over anhydrous magnesium sulfate and concentrated. The residue was subjected to silica gel column chromatography and eluted with ethyl acetate-hexane (2:1, v/v) to give ethyl 1-(aminocarbonothioyl)piperidine-4-carboxylate as colorless crystals (4.76 g, yield 27%). The crystals were recrystallized from ethyl acetate-hexane. melting point: 97-98° C.

Workup

  1. waitat 55° C. for 1 hr
  2. distillationTetrahydrofuran (ca. 100 mL) was distilled off under reduced pressure and 2M ammonia methanol solution (150 mL)
  3. additionwas added
  4. stirringAfter stirring the reaction mixture at room temperature for 15 hrs
  5. concentrationthe mixture was concentrated
  6. additionThe residue was diluted with ethyl acetate
  7. washwashed successively with water and saturated brine
  8. dry with materialThe organic layer was dried over anhydrous magnesium sulfate
  9. concentrationconcentrated
  10. washeluted with ethyl acetate-hexane (2:1

Sources & evidence

ORD record
ord-1f2e9ad855764001ae7b0a48d19ce567
Source dataset
uspto-grants-2008_05
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07368578B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes