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Water → 1-Heptanol, 7-bromo-

HRID 2111459
Notes
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Reaction equation

HRID 2111459 reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH:8]=[O:9].C([O-])(=S)C.[K+].O>CC(C)=O>[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][OH:9]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 962WaterHCID 124703357-BromoheptanalHCID 23670855Potassium ethanethioate

Product 1

HCID 662841-Heptanol, 7-bromo-

Reagents, catalysts & solvents 1

HCID 180AcetoneSolvent

Procedure

To a solution of crude 7-bromoheptanal (Enders and Bartzen (1991) Liebigs Ann. Chem, 569-574) (3.32 g, 17.2 mmol) in acetone (50 mL) was added potassium thioacetate (2.36 g, 21 mmol) under stirring at rt. Then the mixture was refluxed, yielding a precipitate after a few minutes. The reaction was monitored by TLC and cooled to rt when no starting material was detectable (4 h). Water (50 mL) was added, the mixture was extracted with ethyl ether until the organic phase was colorless, and the combined organic phases were dried (Na2SO4) and evaporated. Distillation at 98° C. with a water suction pump afforded 1.66 g (51%, 42% from 7-bromoheptanol) of a yellow oil. IR (neat): {tilde over (v)} 2938, 2857, 2721, 1725, 1694; 1H NMR δ 1.28-1.43 (m, 4H), 1.53-1.69 (m, 4H), 2.33 (s, 3H), 2.43 (dt, 3J=7.3Hz, 3J=1.5Hz, 2H), 2.86 (t, 3J=7.3 Hz, 2H), 9.77 (t, 3J=1.5 Hz, 1H); 13C NMR (APT) δ 21.6 (+), 28.1 (+), 28.3 (+), 28.6 (+), 29.0 (+), 30.3 (−), 43.3 (+), 195.4 (+), 202.0 (−); GC-MS (EI) obsd 188, 187, 145, 128, 112, 94, 43.

Workup

  1. temperatureThen the mixture was refluxed
  2. customyielding a precipitate after a few minutes
  3. temperaturecooled to rt when no starting material
  4. custom(4 h)
  5. extractionthe mixture was extracted with ethyl ether until the organic phase
  6. dry with materialthe combined organic phases were dried (Na2SO4)
  7. customevaporated
  8. distillationDistillation at 98° C. with a water suction pump

Sources & evidence

ORD record
ord-fee5f7bb7a074051996403b441d14405
Source dataset
uspto-grants-2009_04
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07518905B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes