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

Dimethyl Sulfoxide → 3-(1-Decyl)-5-isoxazolecarboxaldehyde

HRID 440402
Notes
Print preview

Reaction equation

HRID 440402 reaction equation
C(Cl)(=O)C(Cl)=O.CS(C)=O.[CH2:11]([C:21]1[CH:25]=[C:24]([CH2:26][OH:27])[O:23][N:22]=1)[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20]>ClCCl>[CH2:11]([C:21]1[CH:25]=[C:24]([CH:26]=[O:27])[O:23][N:22]=1)[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 679Dimethyl SulfoxideHCID 65578Oxalyl chlorideHCID 183729453-(1-Decyl)-5-isoxazolemethanol

Product 1

HCID 183729113-(1-Decyl)-5-isoxazolecarboxaldehydeYield 82%

Reagents, catalysts & solvents 1

HCID 6344DichloromethaneSolvent3×

Conditions

Temperature
-60 °C

Procedure

To a solution of oxalyl chloride (31.7 ml) in dry dichloromethane (100 ml) cooled to -60° C., was added a solution of dimethylsulfoxide (9.8 ml) in dichloromethane (30 ml) followed by a slurry of 3-(1-decyl)-5-isoxazolemethanol (13.8 g) in dry dichloromethane (100 ml). The reaction mixture was stirred at -60° C. for 0.5 hr, quenched with triethylamine (40 ml), and allowed to warm to ambient temperature. The solution was poured into water (300 ml) and extracted with dichloromethane. The organic phases were washed with dilute citric acid, dried, and evaporated. The residue was flash chromatographed (silica, 50:1-dichloromethane:methanol). The appropriate fraction were collected and evaporated. The residue was recrystallized from ether-hexane to give 11.2 g (82%) of product, mp 46°-48° C.

Workup

  1. customquenched with triethylamine (40 ml)
  2. temperatureto warm to ambient temperature
  3. additionThe solution was poured into water (300 ml)
  4. extractionextracted with dichloromethane
  5. washThe organic phases were washed with dilute citric acid
  6. customdried
  7. customevaporated
  8. customchromatographed (silica, 50:1-dichloromethane:methanol)
  9. customThe appropriate fraction were collected
  10. customevaporated
  11. customThe residue was recrystallized from ether-hexane

Sources & evidence

ORD record
ord-472099c10fa340579ceed389aee7ef7b
Source dataset
uspto-grants-1996_05
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US05519062

Reaction notes

Loading…

On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes