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Ethanol → (Z)-Methyl 3-Methylhepta-2,6-dienoate

HRID 1664253
Notes
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Reaction equation

HRID 1664253 reaction equation
C[Li].[C:3]([O:11][CH3:12])(=[O:10])[C:4]#[C:5][CH2:6][CH2:7][CH:8]=[CH2:9].[CH2:13](O)C>C1COCC1.CCOCC.[Cu]I>[CH3:13]/[C:5](/[CH2:6][CH2:7][CH:8]=[CH2:9])=[CH:4]/[C:3]([O:11][CH3:12])=[O:10]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 3

HCID 702EthanolHCID 59644062Methyl hept-6-en-2-ynoateHCID 178418348HCID 178418348, compound

Product 1

HCID 59644092(Z)-Methyl 3-Methylhepta-2,6-dienoateYield 100%

Reagents, catalysts & solvents 3

HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)Catalyst
HCID 3283
Diethyl Ether
Solvent
HCID 8028TetrahydrofuranSolvent2×

Conditions

Temperature
-20 °C

Procedure

A suspension of copper(I) iodide (12.38 g, 65 mmol) in 150 mL of dry THF under a nitrogen atmosphere was cooled to −20° C., and methyllithium (1.6 M in ether, 81.5 mL, 130 mmol) was added dropwise over 15 min. The solution was cooled to −78° C., and 4.49 g (32.5 mmol) of the compound from Example 19 in 15 mL of dry THF was added gradually, keeping the temperature below −70° C. After 1 h, 40 mL of ethanol was added cautiously, and the mixture was allowed to warm to room temperature. The mixture was diluted with ether, and washed with satd aq NH4Cl (200 mL), 5N NH3 (4×250 mL), water (200 mL), and brine (200 mL), dried, and the bulk of the solvent was evaporated to give the title compound (6.8 g, 100%) as an oil. The material had only minor solvent contamination and was adequate for use in the next reaction.

Workup

  1. temperatureThe solution was cooled to −78° C.
  2. customthe temperature below −70° C
  3. temperatureto warm to room temperature
  4. washwashed with satd aq NH4Cl (200 mL), 5N NH3 (4×250 mL), water (200 mL), and brine (200 mL)
  5. customdried
  6. customthe bulk of the solvent was evaporated

Sources & evidence

ORD record
ord-eb59f0ed371d4fb4b3b0354ea76a7b3d
Source dataset
uspto-grants-2011_10
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08039465B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes