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

Sodium hydride → Styrene

HRID 1686914
Notes
Print preview

Reaction equation

HRID 1686914 reaction equation
O[CH2:2][CH2:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[CH2:10][CH2:11][O:12]S(C)(=O)=O.[H-].[Na+].[H][H]>O1CCCC1>[CH:6]1[C:5]2[CH2:10][CH2:11][O:12][CH2:2][CH2:3][C:4]=2[CH:9]=[CH:8][CH:7]=1.[CH2:2]=[CH:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 3

HCID 24758Sodium hydrideHCID 86633847HCID 86633847, compoundHCID 178418361HCID 178418361, compound

Product 2

HCID 7501StyreneHCID 218869441,2,4,5-Tetrahydrobenzo[d]oxepine

Reagents, catalysts & solvents 1

HCID 8028TetrahydrofuranSolvent

Procedure

Methanesulfonic acid 2-[2-(2-hydroxy-ethyl)-phenyl]-ethyl ester (2.2 g/9.0 mmol) was dissolved in tetrahydrofuran (400 mL). Sodium hydride (540 mg/14.5 mmol) was added (hydrogen evolution) and the reaction allowed to stir at room temperature overnight. The reaction was quenched by the addition of water (10 mL) and the reaction concentrated to a volume of ca. 50 mL by rotary evaporation. The residue was partitioned between water (50 mL) and ethyl ether (50 mL). The aqueous layer was extracted with an additional portion of ethyl ether (50 mL) and the combined organics were washed with brine (100 mL), dried over magnesium sulfate, filtered and concentrated onto silica gel. Column chromatography on silica gel (eluting with 0→50% ethyl acetate/hexanes) afforded 5,6,8,9-Tetrahydro-7-oxa-benzocycloheptene as a colorless oil (240 mg/18%) along with a styrene by-product formed by mesylate elimination (600 mg/45%). Oxapene: 1H NMR (400 MHz, CDCl3) δ 7.11 (m, 4H), 3.80 (m, 4H), 3.00 (m, 4H).

Workup

  1. customThe reaction was quenched by the addition of water (10 mL)
  2. concentrationthe reaction concentrated to a volume of ca. 50 mL by rotary evaporation
  3. customThe residue was partitioned between water (50 mL) and ethyl ether (50 mL)
  4. extractionThe aqueous layer was extracted with an additional portion of ethyl ether (50 mL)
  5. washthe combined organics were washed with brine (100 mL)
  6. dry with materialdried over magnesium sulfate
  7. filtrationfiltered
  8. concentrationconcentrated onto silica gel

Sources & evidence

ORD record
ord-17d8a16e27164d3a8d3e0b37439ed573
Source dataset
uspto-grants-2012_04
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08148391B2

Reaction notes

Loading…

On this pageParticipantsProcedureWorkupSources & evidenceReaction notes