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Dimethyl Sulfoxide → (S)-7-bromo-3-(neopentyloxy)-2',6'-dihydrospiro[chromeno[2,3-c]pyridine-5,3'-[1,4]oxazin]-5'-amine

HRID 1472407
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HRID 1472407 반응식
[CH3:1][C:2]([CH3:6])([CH3:5])[CH2:3][OH:4].CS(C)=O.[H-].[Na+].[Br:13][C:14]1[CH:15]=[C:16]2[C@:27]3([N:32]=[C:31]([NH2:33])[CH2:30][O:29][CH2:28]3)[C:26]3[CH:25]=[C:24](Cl)[N:23]=[CH:22][C:21]=3[O:20][C:17]2=[CH:18][CH:19]=1>O.CCOC(C)=O.[Cl-].[Na+].O>[Br:13][C:14]1[CH:15]=[C:16]2[C@:27]3([N:32]=[C:31]([NH2:33])[CH2:30][O:29][CH2:28]3)[C:26]3[CH:25]=[C:24]([O:4][CH2:3][C:2]([CH3:6])([CH3:5])[CH3:1])[N:23]=[CH:22][C:21]=3[O:20][C:17]2=[CH:18][CH:19]=1
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참가 물질

8

반응물 4

HCID 679Dimethyl SulfoxideHCID 6404Neopentyl alcoholHCID 24758Sodium hydrideHCID 58465879(S)-7-bromo-3-chloro-2',6'-dihydrospiro[chromeno [2,3-c]pyridine-5,3'-[1,4]oxazin]-5'-amine2회

생성물 1

HCID 67440039(S)-7-bromo-3-(neopentyloxy)-2',6'-dihydrospiro[chromeno[2,3-c]pyridine-5,3'-[1,4]oxazin]-5'-amine

시약·촉매·용매 3

HCID 962
Water
용매
HCID 8857Ethyl Acetate용매
HCID 57417360Sodium chloride; water용매

실험 절차

A vial was charged with 2,2-dimethylpropan-1-ol (100 mg, 1.130 mmol) and DMSO (1130 μL) to give a clear solution. Sodium hydride (60% in mineral oil; 45.2 mg, 1.130 mmol) was added and the vial was placed in a 100° C. oil bath for 5 min, then was removed from the heat and cooled to RT. (S)-7-bromo-3-chloro-2′,6′-dihydrospiro[chromeno[2,3-c]pyridine-5,3′-[1,4]oxazin]-5′-amine (Intermediate 1B, 86 mg, 0.226 mmol) was added to give an orange solution. The vial was sealed and heated in a 100° C. oil bath for 2 h. The mixture was cooled to room temperature, then diluted with water and EtOAc. Brine was added and the layers were separated. The aq. layer was extracted with EtOAc (2×). The combined organic extracts were dried over sodium sulfate, filtered, and concentrated. The residue was purified by chromatography on silica gel (0-100% EtOAc/Hexane) to give (S)-7-bromo-3-(neopentyloxy)-2′,6′-dihydrospiro[chromeno[2,3-c]pyridine-5,3′-[1,4]oxazin]-5′-amine as a light-yellow solid. Step 2: A vial was charged with (S)-7-bromo-3-(neopentyloxy)-2′,6′-dihydrospiro[chromeno[2,3-c]pyridine-5,3′-[1,4]oxazin]-5′-amine (74.0 mg, 0.171 mmol) 4,4-difluoropiperidine hydrochloride (31.1 mg, 0.257 mmol), and chloro(2-dicyclohexylphosphino-2′,4′,6′-tri-1-propyl-1,1′-biphenyl)[2-(2-aminoethyl)phenyl]palladium(II) methyl-t-butylether adduct (12.02 mg, 0.017 mmol). The vial was flushed with Argon and sealed. Lithium bis(trimethylsilyl)amide (1M in THF) (599 μL, 0.599 mmol) was added in one portion. The resulting mixture was sonicated for 1 min, then stirred for 30 min at rt. The reaction mixture was diluted with saturated aq ammonium chloride solution and extracted with EtOAc (3×). The combined organic extracts were dried over sodium sulfate, filtered, and concentrated. The residue was purified by chromatography (0-10% MeOH/DCM) to give (S)-7-(4,4-difluoropiperidin-1-yl)-3-(neopentyloxy)-2′,6′-dihydrospiro[chromeno[2,3-c]pyridine-5,3′-[1,4]oxazin]-5′-amine as an off-white solid. [M+H]+=473.2.

후처리

  1. customto give a clear solution
  2. customwas placed in a 100° C.
  3. customfor 5 min
  4. customwas removed from the
  5. temperatureheat
  6. customto give an orange solution
  7. customThe vial was sealed
  8. temperatureheated in a 100° C. oil bath for 2 h
  9. temperatureThe mixture was cooled to room temperature
  10. customthe layers were separated
  11. extractionThe aq. layer was extracted with EtOAc (2×)
  12. dry with materialThe combined organic extracts were dried over sodium sulfate
  13. filtrationfiltered
  14. concentrationconcentrated
  15. customThe residue was purified by chromatography on silica gel (0-100% EtOAc/Hexane)

출처 및 근거

ORD 기록
ord-a5504351df524b83848368ded5f82a24
출처 데이터셋
uspto-grants-2015_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09012446B2

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