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Dimethyl Sulfoxide → HCID 178520943, compound

HRID 1777824
Notes
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Reaction equation

HRID 1777824 reaction equation
C(Cl)(=O)C(Cl)=O.CS(C)=O.[F:11][C:12]([F:22])([F:21])[C@H:13]1[CH2:18][CH2:17][C@H:16]([CH2:19][OH:20])[CH2:15][CH2:14]1.CCN(CC)CC>C(Cl)Cl>[F:11][C:12]([F:21])([F:22])[C@H:13]1[CH2:14][CH2:15][C@H:16]([CH:19]=[O:20])[CH2:17][CH2:18]1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 679Dimethyl SulfoxideHCID 8471TriethylamineHCID 65578Oxalyl chlorideHCID 178520945HCID 178520945, compound

Product 1

HCID 178520943HCID 178520943, compoundYield 87.7%

Reagents, catalysts & solvents 1

HCID 6344
Dichloromethane
Solvent
3×

Conditions

Temperature
-78 °C

Procedure

To a solution of oxalyl chloride (6.2 mL, 87.4 mmol) in anhydrous CH2Cl2 (300 mL) was added dropwise DMSO (12.5 mL, 0.17 mol) at −78° C. under N2. After the mixture was stirred at −78° C. for 30 min., a solution of (trans-4-(trifluoromethyl)cyclohexyl)methanol (5.3 g, 29.1 mmol) in CH2Cl2 (40 mL) was added dropwise while keeping the internal temperature below −65° C. After being stirred for 30 min., a solution of Et3N (40.5 mL, 0.29 mol) in CH2Cl2 (60 mL) was added dropwise slowly, keeping the internal temperature below −65° C. The reaction mixture was stirred at −78° C. for 1 h, and warmed to rt overnight. The mixture was washed with water (3×300 mL) and brine (300 mL), dried over anhydrous Na2SO4, filtered and concentrated under reduced pressure. The residue was purified by column chromatography on silica (eluting with 15% EtOAc in petroleum ether) to give trans-4-(trifluoromethyl)cyclohexane-1-carbaldehyde (4.6 g, 87%) as a yellow oil.

Workup

  1. customthe internal temperature below −65° C
  2. stirringAfter being stirred for 30 min.
  3. customthe internal temperature below −65° C
  4. stirringThe reaction mixture was stirred at −78° C. for 1 h
  5. temperaturewarmed to rt overnight
  6. washThe mixture was washed with water (3×300 mL) and brine (300 mL)
  7. dry with materialdried over anhydrous Na2SO4
  8. filtrationfiltered
  9. concentrationconcentrated under reduced pressure
  10. customThe residue was purified by column chromatography on silica (eluting with 15% EtOAc in petroleum ether)

Sources & evidence

ORD record
ord-bf914da77a95471db7475a524d6ce070
Source dataset
uspto-grants-2016_02
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09266886B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes