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Sodium borohydride → HCID 44466931, compound

HRID 241629
Notes
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Reaction equation

HRID 241629 reaction equation
[CH3:1][C:2]1[C:6]([C:7]2[N:8]([C:21]3[CH:26]=[CH:25][C:24]([OH:27])=[CH:23][CH:22]=3)[C:9]3[C:14]([C:15]=2[C:16](=[O:20])[C:17]([NH2:19])=[O:18])=[CH:13][CH:12]=[CH:11][CH:10]=3)=[C:5]([CH3:28])[O:4][N:3]=1.[BH4-].[Na+]>CCO>[CH3:1][C:2]1[C:6]([C:7]2[N:8]([C:21]3[CH:22]=[CH:23][C:24]([OH:27])=[CH:25][CH:26]=3)[C:9]3[C:14]([C:15]=2[CH:16]([OH:20])[C:17]([NH2:19])=[O:18])=[CH:13][CH:12]=[CH:11][CH:10]=3)=[C:5]([CH3:28])[O:4][N:3]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

4

Reactant 2

HCID 4311764Sodium borohydrideHCID 44466648HCID 44466648, compound

Product 1

HCID 44466931HCID 44466931, compound

Reagents, catalysts & solvents 1

HCID 702EthanolSolvent

Procedure

9 mg 2-(2-(3,5-Dimethylisoxazol-4-yl)-1-(4-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetamide (Example 34) was mixed with 1 ml EtOH, 1.8 mg of NaBH4 was added and the mixture was stirred for 1.5 h. The mixture was evaporated, water was added, followed by extraction with EtOAc. The crude product was purified by reversed phase flash chromatography (acetonitrile/water) to provide 2-(2-(3,5-dimethylisoxazol-4-yl)-1-(4-hydroxyphenyl)-1H-indol-3-yl)-2-hydroxyacetamide (E36). ES/MS m/z: 376.3 (M−H); 1H NMR (acetone-d6, 500 MHz): 7.78 (m, 1H), 7.13-6.93 (m, 5H), 6.79 (m, 2H), 2.23, 2.21 (two s, 3H) and 1.93, 1.90 (two s, 3H).

Workup

  1. additionwas added
  2. customThe mixture was evaporated
  3. additionwater was added
  4. extractionfollowed by extraction with EtOAc
  5. customThe crude product was purified by reversed phase flash chromatography (acetonitrile/water)

Sources & evidence

ORD record
ord-f8df26173a5040a4a1ea333fc5d4a7a8
Source dataset
uspto-grants-2014_02
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08653072B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes