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5-Fluoroindole-2-carboxylic acid → 5-Fluoro-1H-indole-2-carboxylic acid [(1S)-(4-fluoro-benzyl)-2-morpholin-4-yl-2-oxo-ethyl]-amide

HRID 1872132
Notes
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Reaction equation

HRID 1872132 reaction equation
Cl.[NH2:2][C@@H:3]([CH2:12][C:13]1[CH:18]=[CH:17][C:16]([F:19])=[CH:15][CH:14]=1)[C:4]([N:6]1[CH2:11][CH2:10][O:9][CH2:8][CH2:7]1)=[O:5].[F:20][C:21]1[CH:22]=[C:23]2[C:27](=[CH:28][CH:29]=1)[NH:26][C:25]([C:30](O)=[O:31])=[CH:24]2>>[F:19][C:16]1[CH:17]=[CH:18][C:13]([CH2:12][C@H:3]([NH:2][C:30]([C:25]2[NH:26][C:27]3[C:23]([CH:24]=2)=[CH:22][C:21]([F:20])=[CH:29][CH:28]=3)=[O:31])[C:4]([N:6]2[CH2:11][CH2:10][O:9][CH2:8][CH2:7]2)=[O:5])=[CH:14][CH:15]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

3

Reactant 2

HCID 18205-Fluoroindole-2-carboxylic acidHCID 69687112(S)-2-Amino-3-(4-fluoro-phenyl)-1-morpholin-4-yl-propan-1-one hydrochloride

Product 1

HCID 573120765-Fluoro-1H-indole-2-carboxylic acid [(1S)-(4-fluoro-benzyl)-2-morpholin-4-yl-2-oxo-ethyl]-amide

Procedure

(S)-2-Amino-3-(4-fluoro-phenyl)-1-morpholin-4-yl-propan-1-one hydrochloride (0.48 mmol) and 5-fluoro-1H-indole-2-carboxylic acid (0.48 mmol) were coupled according to Procedure A (0-25° C. reaction temperature, 48 hour reaction time, washed with acid first then base) and the product purified by chromatography on silica gel eluted with 20, 30, 40, 50 and 75% ethyl acetate in hexanes. Yield 189 mg, 95%; HPLC (60/40) 4.76 minutes (97%); PBMS 414 (MH+, 100%);

Workup

  1. custom0-25° C. reaction temperature, 48 hour reaction time
  2. washwashed with acid first
  3. custombase) and the product purified by chromatography on silica gel
  4. washeluted with 20, 30, 40, 50 and 75% ethyl acetate in hexanes
  5. customHPLC (60/40) 4.76 minutes (97%)

Sources & evidence

ORD record
ord-c665570ad0094f9da71f031de65021b4
Source dataset
uspto-grants-2000_08
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US06107329

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes