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Benzyl chloroformate → HCID 86623367, compound

HRID 2089284
Notes
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Reaction equation

HRID 2089284 reaction equation
[S:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[CH2:6][C@@H:7]([C:9]([OH:11])=O)[NH2:8].[H-].[H-].[H-].[H-].[Li+].[Al+3].[OH-].[Na+].Cl[C:21]([O:23][CH2:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)=[O:22]>O1CCCC1.O>[OH:11][CH2:9][CH:7]([NH:8][C:21](=[O:22])[O:23][CH2:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)[CH2:6][C:2]1[S:1][CH:5]=[CH:4][CH:3]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 10387Benzyl chloroformateHCID 14798Sodium Hydroxide2×HCID 146719beta-2-Thienyl-L-alanineHCID 21226445Aluminium lithium hydride

Product 1

HCID 86623367HCID 86623367, compoundYield 96.9%

Reagents, catalysts & solvents 2

HCID 962
Water
Solvent
HCID 8028TetrahydrofuranSolvent

Procedure

24.8 g of 3-(2-thienyl)alanine (144.8 mmol) were added in portions to 11.0 g of LiAlH4 in 550 ml of tetrahydrofuran, heated to reflux. The mixture was then heated under reflux for 8 hours and subsequently stirred at room temperature overnight. 17.6 ml of 10% NaOH solution were added and then 22 ml of H2O were slowly added dropwise, and the mixture was stirred for 5 minutes. Then, first 391 ml of 10% NaOH solution and subsequently, at −5° C., 22.2 g of benzyl chloroformate (130.32 mmol) were added, and the mixture was stirred at room temperature for 3 hours. For workup, the mixture was extracted with dichloromethane, the organic phase was dried, the solvent was evaporated and the remaining residue was filtered through silica gel (eluent: CH2Cl2/methanol 2.5%). 36.8 g of the title compound were obtained as a yellowish oil.

Workup

  1. temperatureheated to reflux
  2. temperatureThe mixture was then heated
  3. temperatureunder reflux for 8 hours
  4. stirringthe mixture was stirred for 5 minutes
  5. stirringthe mixture was stirred at room temperature for 3 hours
  6. extractionFor workup, the mixture was extracted with dichloromethane
  7. customthe organic phase was dried
  8. customthe solvent was evaporated
  9. filtrationthe remaining residue was filtered through silica gel (eluent: CH2Cl2/methanol 2.5%)

Sources & evidence

ORD record
ord-130cf1e10eac4ea283d7601ca23015ae
Source dataset
uspto-grants-2013_05
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08436034B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes