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Iodine chloride → 1-[4-Hydroxy-3-(hydroxymethyl)-1-butyl]-5-(1-azido-2-iodoethyl)uracil

HRID 1516774
Notes
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Reaction equation

HRID 1516774 reaction equation
[I:1]Cl.[N-:3]=[N+:4]=[N-:5].[Na+].[OH:7][CH2:8][CH:9]([CH2:22][OH:23])[CH2:10][CH2:11][N:12]1[CH:19]=[C:18]([CH:20]=[CH2:21])[C:16](=[O:17])[NH:15][C:13]1=[O:14].C(Cl)(Cl)Cl.CO>C(#N)C>[OH:7][CH2:8][CH:9]([CH2:22][OH:23])[CH2:10][CH2:11][N:12]1[CH:19]=[C:18]([CH:20]([N:3]=[N+:4]=[N-:5])[CH2:21][I:1])[C:16](=[O:17])[NH:15][C:13]1=[O:14]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 24640Iodine chlorideHCID 33557Sodium AzideHCID 100372831-[4-Hydroxy-3-(hydroxymethyl)-1-butyl]-5-vinyluracilHCID 21584188Chloroform methanol

Product 1

HCID 4903881-[4-Hydroxy-3-(hydroxymethyl)-1-butyl]-5-(1-azido-2-iodoethyl)uracilYield 21.3%

Reagents, catalysts & solvents 1

HCID 6342
Acetonitrile
Solvent
2×

Conditions

Temperature
0 °C

Procedure

Iodine monochloride (50 mg, 0.3 mmol) was added slowly with stirring during a five minute period to a suspension of sodium azide (72 mg, 1.1 mmol) in dry acetonitrile (10 ml) at ice-bath temperature with stirring. This mixture was stirred for a further 5 min., a solution of 20 (66 mg, 0.275 mmol) in dry acetonitrile (40 ml) was added, the reaction mixture was maintained at 0° C. for 30 min. with stirring. The resulting red-brown colored reaction mixture was poured onto ice cold water (25 ml), the mixture was extracted with ethyl acetate (3×50 ml) and the ethyl acetate extract was washed with 5% aqueous sodium thiosulfate (30 ml). Drying the colorless ethyl acetate fraction (Na2SO4), removal of the solvent in vacuo and purification of the residue obtained by elution from a silica gel column using chloroform:methanol (90:10, v/v) as eluent afforded 21c (24 mg, 21%) as a viscous oil.

Workup

  1. stirringThis mixture was stirred for a further 5 min.
  2. stirringwith stirring
  3. additionThe resulting red-brown colored reaction mixture was poured onto ice cold water (25 ml)
  4. extractionthe mixture was extracted with ethyl acetate (3×50 ml)
  5. extractionthe ethyl acetate extract
  6. washwas washed with 5% aqueous sodium thiosulfate (30 ml)
  7. customDrying
  8. customthe colorless ethyl acetate fraction (Na2SO4), removal of the solvent
  9. customin vacuo and purification of the residue
  10. customobtained by elution from a silica gel column

Sources & evidence

ORD record
ord-2ae4471a4cb947e1917a452d390766ab
Source dataset
uspto-grants-2012_07
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08227594B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes