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Ammonia → (R)-diethyl 2-benzyloxycarbonylamino-2-carbamoylsuccinate

HRID 57739
Notes
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Reaction equation

HRID 57739 reaction equation
[CH2:1]([O:8][C:9]([NH:11][C@@:12]([C:22]([O:24][CH2:25][CH3:26])=[O:23])([C:19](O)=[O:20])[CH2:13][C:14]([O:16][CH2:17][CH3:18])=[O:15])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.ClC(OCC(C)C)=O.[NH3:35].Cl>C1COCC1.C(N(CC)CC)C>[CH2:1]([O:8][C:9]([NH:11][C@@:12]([C:19](=[O:20])[NH2:35])([CH2:13][C:14]([O:16][CH2:17][CH3:18])=[O:15])[C:22]([O:24][CH2:25][CH3:26])=[O:23])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 222AmmoniaHCID 313Hydrochloric AcidHCID 62365Isobutyl chloroformateHCID 66725113(R)-1-ethyl hydrogen 3-benzyloxycarbonylamino-3-ethoxycarbonylsuccinate

Product 1

HCID 66725151(R)-diethyl 2-benzyloxycarbonylamino-2-carbamoylsuccinateYield 84%

Reagents, catalysts & solvents 2

HCID 8028
Tetrahydrofuran
Solvent
HCID 8471TriethylamineSolvent

Procedure

A solution of (R)-1-ethyl hydrogen 3-benzyloxycarbonylamino-3-ethoxycarbonylsuccinate (1.8 g) in THF (20 mL) was added with triethylamine (0.96 mL) and isobutyl chloroformate (0.84 mL, 0.87 g) in this order at −15° C. with stirring, and the mixture was stirred for 5 minutes. A solution of 25% aqueous ammonia (0.47 mL) was dropped into the reaction mixture at the same temperature. The reaction mixture was stirred at the same temperature for 1 hour, and then poured into diluted hydrochloric acid, the mixture was extracted with ethyl acetate, and the extract was dried over anhydrous magnesium sulfate. The solvent was evaporated under reduced pressure, and the residue was subjected to silica gel column chromatography, in which elution was performed with n-hexane/ethyl acetate (1:1) for purification, and then crystallized from ethyl acetate/n-hexane to obtain the title compound (1.51 g, yield: 84%) as colorless crystals. Optical rotation [α]D25 was −5.7° (c 0.52, ethanol) and optical purity was 96.1% ee.

Workup

  1. stirringthe mixture was stirred for 5 minutes
  2. stirringThe reaction mixture was stirred at the same temperature for 1 hour
  3. extractionthe mixture was extracted with ethyl acetate
  4. dry with materialthe extract was dried over anhydrous magnesium sulfate
  5. customThe solvent was evaporated under reduced pressure
  6. washthe residue was subjected to silica gel column chromatography, in which elution
  7. customwas performed with n-hexane/ethyl acetate (1:1) for purification
  8. customcrystallized from ethyl acetate/n-hexane

Sources & evidence

ORD record
ord-e294c7aa81634a2daab12f0f49e89a88
Source dataset
uspto-grants-2016_09
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09434737B2

Reaction notes

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