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Sodium Thiosulfate → propane-1-sulfonic acid[2,4difluoro-3-(4methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-amide

HRID 1690035
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HRID 1690035 반응식
[F:1][C:2]1[C:7]([CH:8]([OH:19])[C:9]2[C:17]3[C:16]([CH3:18])=[N:15][CH:14]=[N:13][C:12]=3[NH:11][CH:10]=2)=[C:6]([F:20])[CH:5]=[CH:4][C:3]=1[NH:21][S:22]([CH2:25][CH2:26][CH3:27])(=[O:24])=[O:23].CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=O.C(=O)(O)[O-].[Na+].S([O-])([O-])(=O)=S.[Na+].[Na+]>O1CCCC1.C(OCC)(=O)C>[F:1][C:2]1[C:7]([C:8]([C:9]2[C:17]3[C:16]([CH3:18])=[N:15][CH:14]=[N:13][C:12]=3[NH:11][CH:10]=2)=[O:19])=[C:6]([F:20])[CH:5]=[CH:4][C:3]=1[NH:21][S:22]([CH2:25][CH2:26][CH3:27])(=[O:24])=[O:23]
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7

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HCID 24477Sodium ThiosulfateHCID 159087TriacetoxyperiodinaneHCID 516892Sodium BicarbonateHCID 57963260Propane-1-sulfonic acid{2,4-difluoro-3-[hydroxy-(4-methyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-methyl]-phenyl}-amide

생성물 1

HCID 57963301propane-1-sulfonic acid[2,4difluoro-3-(4methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-amide수율 31.3%

시약·촉매·용매 2

HCID 8028Tetrahydrofuran용매HCID 8857Ethyl Acetate용매

실험 절차

Propane-1-sulfonic acid {2,4-difluoro-3-[hydroxy-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-methyl]-phenyl}-amide (P-0055, 0.215 g, 0.542 mmol) was dissolved in 40 mL of tetrahydrofuran and Dess-Martin periodinane (0.253 g, 0.597 mmol) was added. The resulting mixture was stirred at room temperature for 30 minutes. The reaction mixture was diluted with ethyl acetate and a mixture of 20 mL of saturated aqueous sodium bicarbonate and 4 mL of saturated aqueous sodium thiosulfate was added. The mixture was vigorously stirred until the organic layer turned clear. The aqueous layer was separated and extracted once with ethyl acetate. The combined organic layers were washed with water and brine, dried with magnesium sulfate, filtered and the filtrate concentrated under vacuum. The residue was suspended in tetrahydrofuran and acetonitrile and sonicated for 15 minutes. The solid material was collected with filtration to provide the desired compound as a white solid (P-0056, 67 mg). LC-MS showed one major peak with 99.7% purity and 1H-NMR(dmso-d6) was consistent with the desired compound. MS(ESI) [M+H+]+=395.0. The filtrate was recovered and purified by silica gel column chromatography eluting with ethyl acetate and hexane. Appropriate fractions were combined and concentrated under vacuum to provide the desired compound as an off-white solid (P40056, 51 mg). LC-MS showed one major peak with 99.8% purity. 1H-NMR(dmso-d6) was consistent with the desired compound. MS(ESI) [M+H+]+=395.0.

후처리

  1. additionwas added
  2. stirringThe mixture was vigorously stirred until the organic layer
  3. customThe aqueous layer was separated
  4. extractionextracted once with ethyl acetate
  5. washThe combined organic layers were washed with water and brine
  6. dry with materialdried with magnesium sulfate
  7. filtrationfiltered
  8. concentrationthe filtrate concentrated under vacuum
  9. customacetonitrile and sonicated for 15 minutes
  10. filtrationThe solid material was collected with filtration

출처 및 근거

ORD 기록
ord-e96cfb29dc9f4c4aa6d2562534292664
출처 데이터셋
uspto-grants-2012_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08153641B2

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