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Methanol → 1,3-Dioxane, 2-(4-chlorophenyl)-2-methyl-

HRID 250519
Notes
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Reaction equation

HRID 250519 reaction equation
[CH3:1][C:2]([C:4]1[CH:9]=[CH:8][C:7]([Cl:10])=[CH:6][CH:5]=1)=[O:3].[CH2:11](O)[CH2:12][CH2:13][OH:14].CO>C(Cl)Cl.C1C(=O)N(Br)C(=O)C1>[Cl:10][C:7]1[CH:8]=[CH:9][C:4]([C:2]2([CH3:1])[O:14][CH2:13][CH2:12][CH2:11][O:3]2)=[CH:5][CH:6]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 3

HCID 887MethanolHCID 7467P-ChloroacetophenoneHCID 104421,3-Propanediol

Product 1

HCID 114699251,3-Dioxane, 2-(4-chlorophenyl)-2-methyl-Yield 52%

Reagents, catalysts & solvents 2

HCID 67184N-bromobutanimideCatalystHCID 6344
Dichloromethane
Solvent

Procedure

To a stirred mixture of 4-chloroacetophenone (1.3 mL, 10 mmol), triethylformate (2.0 mL, 12 mmol), 1,3-propanediol (2.2 mL, 30 mmol) and dry methanol (1.2 mL) in dry CH2Cl2 (50 mL) was added NBS (53 mg, 0.30 mmol). The mixture was protected from light and stirred at room temperature under an inert atmosphere of nitrogen for 70 h. After the mixture was washed with saturated aqueous sodium bicarbonate solution (20 mL), the aqueous phase was extracted with dichloromethane (3×30 mL). The combined organic solution was washed with water (2×20 mL), brine (1×20 mL), then dried (Na2SO4) and concentrated under reduced pressure. Flash column chromatography of the residue, eluting with 37% aqueous ammonia:ether:hexane (0.02:1:6) afforded 2-(4-chlorophenyl)-2-methyl-1,3-dioxane (20) as a colourless oil (1.1 g, 52%). 1H nmr (200 MHz, CDCl3) 1.49 (s, 3H, CH3), 1.98-2.25 (m, 2H, OCH2CH2CH2O), 3.65-4.10 (m, 4H, OCH2CH2CH2O), 7.30-7.50 (m, 4H, 4×ArH).

Workup

  1. washAfter the mixture was washed with saturated aqueous sodium bicarbonate solution (20 mL)
  2. extractionthe aqueous phase was extracted with dichloromethane (3×30 mL)
  3. washThe combined organic solution was washed with water (2×20 mL), brine (1×20 mL)
  4. dry with materialdried (Na2SO4)
  5. concentrationconcentrated under reduced pressure
  6. washFlash column chromatography of the residue, eluting with 37% aqueous ammonia:ether:hexane (0.02:1:6)

Sources & evidence

ORD record
ord-54f1ec04175a45dc818c7e7e60e917bf
Source dataset
uspto-grants-2011_01
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07863313B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes