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Trifluoroacetic acid → rac-8-[(3-fluoropyridin-2-yl)methoxy]-2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazo[1,2-a]pyridine-3-carboxamide

HRID 1844225
Notes
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Reaction equation

HRID 1844225 reaction equation
Cl.[F:2][C:3]1[C:4]([CH2:9][O:10][C:11]2[C:12]3[N:13]([C:18]([C:22](O)=[O:23])=[C:19]([CH3:21])[N:20]=3)[CH:14]=[C:15]([CH3:17])[CH:16]=2)=[N:5][CH:6]=[CH:7][CH:8]=1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.C(N(CC)C(C)C)(C)C.[NH2:58][CH2:59][CH:60]([OH:65])[C:61]([F:64])([F:63])[F:62].C(O)(C(F)(F)F)=O>CN(C=O)C.O>[F:2][C:3]1[C:4]([CH2:9][O:10][C:11]2[C:12]3[N:13]([C:18]([C:22]([NH:58][CH2:59][CH:60]([OH:65])[C:61]([F:64])([F:63])[F:62])=[O:23])=[C:19]([CH3:21])[N:20]=3)[CH:14]=[C:15]([CH3:17])[CH:16]=2)=[N:5][CH:6]=[CH:7][CH:8]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

8

Reactant 5

HCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 4189653-Amino-1,1,1-trifluoropropan-2-olHCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 867182148-[(3-Fluoropyridin-2-yl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid hydrochloride

Product

1
HCID 90115522rac-8-[(3-fluoropyridin-2-yl)methoxy]-2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazo[1,2-a]pyridine-3-carboxamide

Reagents, catalysts & solvents 2

HCID 962WaterCatalystHCID 6228DimethylformamideSolvent

Procedure

120 mg (0.34 mmol) of 8-[(3-fluoropyridin-2-yl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid hydrochloride from Example 121A, 169 mg (0.44 mmol) of O-(7-azabenzotriazol-1-yl)-N,N,N′N′-tetramethyluronium hexafluorophosphate (HATU) and 176 mg (1.37 mmol) of N,N-diisopropylethylamine were initially charged in 2.2 ml of DMF, the mixture was stirred for 50 min, 66 mg (0.51 mmol) of rac-3-amino-1,1,1-trifluoropropan-2-ol were then added and the mixture was stirred at RT for 1.5 h. A few drops of water and TFA were added to the reaction solution, and the product was purified by preparative HPLC (RP18 column, mobile phase: acetonitrile/water gradient with addition of 0.1% TFA). The product-containing fractions were concentrated, and dichloromethane and saturated aqueous sodium bicarbonate solution were added to the residue. The aqueous phase was extracted three times with dichloromethane, the combined organic phases were dried over sodium sulphate and filtered and the filtrate was concentrated and lyophilized. This gave 49 mg (32% of theory) of the target compound.

Workup

  1. stirringthe mixture was stirred at RT for 1.5 h
  2. customthe product was purified by preparative HPLC (RP18 column, mobile phase: acetonitrile/water gradient with addition of 0.1% TFA)
  3. concentrationThe product-containing fractions were concentrated
  4. additiondichloromethane and saturated aqueous sodium bicarbonate solution were added to the residue
  5. extractionThe aqueous phase was extracted three times with dichloromethane
  6. dry with materialthe combined organic phases were dried over sodium sulphate
  7. filtrationfiltered
  8. concentrationthe filtrate was concentrated

Sources & evidence

ORD record
ord-633ae3f09c784e3c9351b7fa993f3b46
Source dataset
uspto-grants-2015_02
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08946215B2

Reaction notes

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