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

Hydrochloric Acid → (1S)-2-Nitro-1-[3-({3-[(phenylmethyl)oxy]propyl}oxy)phenyl]ethanol

HRID 595338
Notes
Print preview

Reaction equation

HRID 595338 reaction equation
Cl.C(N(C(C)C)CC)(C)C.[C:11]1([CH2:17][O:18][CH2:19][CH2:20][CH2:21][O:22][C:23]2[CH:24]=[C:25]([CH:28]=[CH:29][CH:30]=2)[CH:26]=[O:27])[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1.FC(F)(F)C(O)=O.[N+:38]([CH3:41])([O-:40])=[O:39]>C(O)C.C([O-])(=O)C.[Cu+2].C([O-])(=O)C.COC(C)(C)C>[N+:38]([CH2:41][C@H:26]([C:25]1[CH:28]=[CH:29][CH:30]=[C:23]([O:22][CH2:21][CH2:20][CH2:19][O:18][CH2:17][C:11]2[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=2)[CH:24]=1)[OH:27])([O-:40])=[O:39]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

9

Reactant 5

HCID 313Hydrochloric Acid2×HCID 6375NitromethaneHCID 6422Trifluoroacetic acidHCID 81531Diisopropylethylamine2×HCID 866376223-(3-(Benzyloxy)propoxy)benzaldehyde

Product 1

HCID 56926628(1S)-2-Nitro-1-[3-({3-[(phenylmethyl)oxy]propyl}oxy)phenyl]ethanol

Reagents, catalysts & solvents 3

HCID 8895Cupric acetateCatalystHCID 702EthanolSolvent2×HCID 15413tert-Butyl methyl etherSolvent

Conditions

Temperature
-30 °C

Procedure

Copper (II) acetate and camphoraminomethylpyridine bis-HCl salt (504 mg) were charged to a reactor, followed by ethanol (60 mL) and diisopropylethylamine (1.16 mL). The contents were stirred for 1 h at room temperature, at which time a solution of 3-({3-[(phenylmethyl)oxy]propyl}oxy)benzaldehyde in ethanol (15 g in 15 mL) was charged. The reaction mixture was cooled to −30° C. to −40° C., whereupon nitromethane (33.9 g) was added slowly to the reaction, maintaining a temperature below −30° C., followed by diisopropylethylamine (359 mg). The reaction temperature was maintained at −30° C. for 24-48 h. When the reaction was complete, trifluoroacetic acid (952 mg) was charged to the reaction, and the contents were transferred to a separate reactor containing a room temperature solution of 1 N HCl (75 mL) and t-butyl methyl ether (TBME, 150 mL). After the addition was complete, the layers were allowed to separate and the aqueous phase removed. The organic phase was then washed with water (75 mL) and the aqueous phase removed. The solution of product in TBME was then filtered through a pad of silica gel (15 g) which was rinsed with TBME. The product was stored cold as a solution in TBME, to be swapped to ethanol prior to the subsequent hydrogenation step.

Workup

  1. additionwas charged
  2. additionwas added slowly to the reaction
  3. temperaturemaintaining a temperature below −30° C.
  4. customthe contents were transferred to a separate reactor
  5. additionAfter the addition
  6. customto separate
  7. customthe aqueous phase removed
  8. washThe organic phase was then washed with water (75 mL)
  9. customthe aqueous phase removed
  10. filtrationThe solution of product in TBME was then filtered through a pad of silica gel (15 g) which
  11. washwas rinsed with TBME

Sources & evidence

ORD record
ord-47712bc2995c409b8a1aafdd7c84e232
Source dataset
uspto-grants-2016_01
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09243003B2

Reaction notes

Loading…

On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes