Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1690822Generated: October 31, 2026

2,2,2-Trifluoroethanol → Bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-, 2,6-bis(1,1-dimethylethyl) ester, (1S,2S,5R,6R)-

https://huagongshe.com/reaction/1690822

Reaction equation

Participants

RoleNameHCIDCharge
Reactant2,2,2-TrifluoroethanolHCID 6409—
ReactantPotassium tert-butoxideHCID 23665647—
Reactant1,1-Dimethylethyl (1S)-1-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-2-cyclopentene-1-carboxylateHCID 59712923—
ReactantThiophenium, 1-[2-(1,1-dimethylethoxy)-2-oxoethyl]tetrahydro-, bromide (1:1)HCID 85844044—
SolventWaterHCID 962—
SolventAcetonitrileHCID 6342—
Solventtert-Butyl methyl etherHCID 15413—
ProductBicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-, 2,6-bis(1,1-dimethylethyl) ester, (1S,2S,5R,6R)-HCID 59712878—

Reaction Conditions

Temperature4 °C

Reaction Steps

Add KOtBu (42 mL, 42 mmol, 1 M solution in THF, 2.5 equiv) to a 0° C. solution of 1-(2-tert-butoxy-2-oxoethyl)tetrahydrothiophenium bromide (11.9 g, 42 mmol, 2.5 equiv., Preparation 48) in acetonitrile (30 mL) under N2 over 10 minutes keeping the temperature below 5° C. Stir the milky solution cold for 1.5 hours. Add trifluoroethanol (6.9 g, 69 mmol, 4.1 equiv) dropwise. Add a solution of (1S)-1-(tert-butoxycarbonylamino)-1-(tert-butoxycarbonyl)-cyclopent-4-en-3-one (5 g, 16.8 mmol, Preparation 47) and trifluoroethanol (13.3 g, 132 mmol, 7.9 equiv) in acetonitrile (20 mL), over 5 minutes, maintaining the temperature at 3-5° C. Stir the solution for 4.5 hours at 0-5° C. Add MTBE (155 mL) and H2O (80 mL) to the cold reaction mixture. Separate the layers and wash the organic layer with H2O (50 mL), then 20% brine (50 mL). Concentrate the organic layer via atmospheric pressure distillation to approximately 30 mL. Add heptane (100 mL) and concentrate the solution. Add additional heptane as needed until the vapor temperature of the distillate reaches 93° C. Add THF (65 mL) to yield a solution of the title compound.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08153683B2
Source datasetuspto-grants-2012_04
ORD IDord-7890bd953f024eee88192d9d70d9094c
Source noteuspto-grants-2012_04