HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Reaction

Cyclohexanone Oxime → 2-Oxa-3-azabicyclo[2.2.2]oct-5-ene hydrochloride

HRID 2402593
Notes
Print preview

Reaction equation

HRID 2402593 reaction equation
[C:1]1(=[N:7][OH:8])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.C(O[Cl:14])(C)(C)C.C1CCC=CC=1>C(Cl)Cl.C(O)C>[ClH:14].[CH:4]12[CH2:5][CH2:6][CH:1]([CH:2]=[CH:3]1)[NH:7][O:8]2
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 3

HCID 7517Cyclohexanone OximeHCID 116051,3-CyclohexadieneHCID 521297Tert-Butyl hypochlorite

Product 1

HCID 126498822-Oxa-3-azabicyclo[2.2.2]oct-5-ene hydrochlorideYield 74.1%

Reagents, catalysts & solvents 2

HCID 702EthanolSolventHCID 6344
Dichloromethane
Solvent

Conditions

Temperature
-20 °C

Procedure

To a solution of 30.0 g (0.265 mol) of cyclohexanone oxime in 300 ml of methylene chloride and 38 ml of ethanol was slowly added at 0° C. 34.5 g (0.318 mol) of tert.-butyl-hypochlorite. The resulting dark blue solution was cooled to −20° C. and then 31.9 g (0.398 mol) of 1,3-cyclohexadiene were added and the mixture was stored in a freezer at 5° C. for 2 days until the blue color had disappeared. The reaction mixture was concentrated to 50% of its volume and then 600 ml of diethyl ether were slowly added. After stirring overnight the resulting precipitate was isolated by suction to yield 29.0 g of 2-oxa-3-aza-bicyclo[2.2.2]oct-5-ene hydrochloride. 5.0 g (0.045 mol) of this material were hydrogenated with 3.0 g (0.013 mol) platinum oxide at 2 bar hydrogen pressure. After 7 h the catalyst was filtered off and a solution of 20 ml 4 M hydrochloric acid in dioxane was added. After evaporation the residue was recrystallized from 30 ml isopropanol giving 3.1 g of cis-4-aminocyclohexanol hydrochloride.

Workup

  1. concentrationThe reaction mixture was concentrated to 50% of its volume
  2. addition600 ml of diethyl ether were slowly added
  3. customwas isolated by suction

Sources & evidence

ORD record
ord-d87b464cba1e4fd48b6cef42d3cd4aae
Source dataset
uspto-grants-2014_08
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08796458B2

Reaction notes

Loading…

On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes