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Potassium Carbonate → (4aS,5S,7aS)-7a-(2-fluorophenyl)-5-(trifluoromethyl)-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-amine

HRID 2045881
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HRID 2045881 반응식
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C@:8]12[CH2:16][O:15][C@H:14]([C:17]([F:20])([F:19])[F:18])[C@H:13]1[CH2:12][S:11][C:10]([NH:21]C(=O)C1C=CC=CC=1)=[N:9]2.C([O-])([O-])=O.[K+].[K+]>CO>[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C@:8]12[CH2:16][O:15][C@H:14]([C:17]([F:18])([F:19])[F:20])[C@H:13]1[CH2:12][S:11][C:10]([NH2:21])=[N:9]2
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참가 물질

4

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HCID 11430Potassium CarbonateHCID 60168236N-((4aS,5S,7aS)-7a-(2-fluorophenyl)-5-(trifluoromethyl)-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-yl)benzamide

생성물 1

HCID 60168238(4aS,5S,7aS)-7a-(2-fluorophenyl)-5-(trifluoromethyl)-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-amine수율 97.5%

시약·촉매·용매 1

HCID 887Methanol용매

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온도
65 °C

실험 절차

To a solution of N-((4aS,5S,7aS)-7a-(2-fluorophenyl)-5-(trifluoromethyl)-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-2-yl)benzamide (250.2 g, 589.5 mmol) in methanol (1.25 L) was added K2CO3 (81.5 g, 590.0 mmol). The suspension was heated to 65° C. for 6 h. Upon cooling to ambient temperature, the solvent was evaporated under vacuum. To the resulting residue, was added 1.0 N aq NaOH (1.18 L) and THF (502 mL). The heterogeneous mixture was heated to 45° C. for 1 h. The mixture was cooled to ambient temperature, and EtOAc (1.38 L) was added. The aqueous layer was extracted with EtOAc (0.75 L). The organics were combined, washed with saturated aq. NaHCO3 (500 mL) and saturated aq. NaCl (500 mL). The organics were concentrated under vacuum to afford the title compound as a brown oil (184.1 g, 91.6% yield accounting for residual solvents). 1H NMR (500 MHz, DMSO) δ ppm 7.49-7.42 (m, 1H), 7.40-7.33 (m, 1H), 7.26-7.15 (m, 2H), 6.26 (s, 2H), 4.77-4.54 (m, 1H), 4.40 (d, J=8.0 Hz, 1H). 3.80 (dd, J=7.9, 2.3 Hz, 1H), 3.24-3.17 (m, 1H), 3.00 (dd, J=13.9, 3.2 Hz, 1H), 2.85 (dd, J=13.9, 3.9 Hz, 1H); 13C NMR (125 MHz, DMSO) δ ppm 159.75 (d, JCF=245.1 Hz), 149.51, 131.31 (d, JCF=3.9 Hz), 130.13 (d, JCF=8.8 Hz), 128.08 (d, JCF=10.4 Hz), 128.28 (q, JCF=282.1 Hz). 124.87 (d, JCF=3.0 Hz), 116.80 (d, J=23.8 Hz). 78.77, 76.80 (q, JCF=30.8 Hz), 66.31, 36.37, 23.27.

후처리

  1. temperatureUpon cooling to ambient temperature
  2. customthe solvent was evaporated under vacuum
  3. additionTo the resulting residue, was added 1.0 N aq NaOH (1.18 L) and THF (502 mL)
  4. temperatureThe heterogeneous mixture was heated to 45° C. for 1 h
  5. temperatureThe mixture was cooled to ambient temperature
  6. additionEtOAc (1.38 L) was added
  7. extractionThe aqueous layer was extracted with EtOAc (0.75 L)
  8. washwashed with saturated aq. NaHCO3 (500 mL) and saturated aq. NaCl (500 mL)
  9. concentrationThe organics were concentrated under vacuum

출처 및 근거

ORD 기록
ord-54e1cc251a164ebb976023c209cd85b2
출처 데이터셋
uspto-grants-2013_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08592408B2

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