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Trifluoroacetic acid → 5-(2-methylsulfanyl-pyrimidin-5-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine

HRID 1692842
Notes
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Reaction equation

HRID 1692842 reaction equation
[CH3:1][S:2][C:3]1[N:8]=[CH:7][C:6]([CH:9]([C:11]2[C:19]3[CH:18]=[N:17][CH:16]=[N:15][C:14]=3[N:13]([Si](C(C)C)(C(C)C)C(C)C)[CH:12]=2)O)=[CH:5][N:4]=1.C([SiH](CC)CC)C.FC(F)(F)C(O)=O>ClCCCl>[CH3:1][S:2][C:3]1[N:4]=[CH:5][C:6]([CH2:9][C:11]2[C:19]3[CH:18]=[N:17][CH:16]=[N:15][C:14]=3[NH:13][CH:12]=2)=[CH:7][N:8]=1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 6422Trifluoroacetic acidHCID 12052TriethylsilaneHCID 57963217(2-methylsulfanyl-pyrimidin-5-yl)-(7-triisopropylsilanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-methanol

Product 1

HCID 579631715-(2-methylsulfanyl-pyrimidin-5-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidineYield 72.9%

Reagents, catalysts & solvents 1

HCID 11
1,2-Dichloroethane
Solvent

Conditions

Temperature
80 °C

Procedure

To a solution of (2-methylsulfanyl-pyrimidin-5-yl)-(7-triisopropylsilanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-methanol (55, 2.75 g, 6.40 mmol) in 50.0 mL of 1,2-dichloroethane, triethylsilane (8.00 mL, 50.1 mmol) and trifluoroacetic acid (4.00 mL, 51.9 mmol) were added. The reaction was heated at 80° C. overnight, then concentrated under vacuum, combined with water and extracted with ethyl acetate. The organic layer was dried over sodium sulfate, filtered, and the filtrate was concentrated under vacuum. The resulting material was purified by silica gel column chromatography eluting with 2-15% methanol in dichloromethane. Appropriate fractions were combined and the solvents removed under vacuum to provide the desired compound (56, 1.20 g). MS (ESI) [M+H+]+=258.2.

Workup

  1. concentrationconcentrated under vacuum
  2. extractionextracted with ethyl acetate
  3. dry with materialThe organic layer was dried over sodium sulfate
  4. filtrationfiltered
  5. concentrationthe filtrate was concentrated under vacuum
  6. customThe resulting material was purified by silica gel column chromatography
  7. washeluting with 2-15% methanol in dichloromethane
  8. customthe solvents removed under vacuum

Sources & evidence

ORD record
ord-f8eb45e78ab342d49284d6e8eb5b6772
Source dataset
uspto-grants-2012_04
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08158636B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes