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Triethylamine → 7-[4-(4-Naphthalen-1-yl-piperazin-1-yl)-butoxy]-3-(2,2,2-trifluoro-ethyl)-1h-[1,8]naphthyridin-2-one

HRID 1373597
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HRID 1373597 반응식
CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=O.O[CH2:24][CH2:25][CH2:26][CH2:27][O:28][C:29]1[N:38]=[C:37]2[C:32]([CH:33]=[C:34]([CH2:40][C:41]([F:44])([F:43])[F:42])[C:35](=[O:39])[NH:36]2)=[CH:31][CH:30]=1.[O-]S([O-])(=S)=O.[Na+].[Na+].Cl.[C:53]1([N:63]2[CH2:68][CH2:67][NH:66][CH2:65][CH2:64]2)[C:62]2[C:57](=[CH:58][CH:59]=[CH:60][CH:61]=2)[CH:56]=[CH:55][CH:54]=1.CCN(CC)CC.[BH-](OC(C)=O)(OC(C)=O)OC(C)=O.[Na+]>C(Cl)Cl.C1COCC1.ClCCCl.CCOCC>[C:53]1([N:63]2[CH2:68][CH2:67][N:66]([CH2:24][CH2:25][CH2:26][CH2:27][O:28][C:29]3[N:38]=[C:37]4[C:32]([CH:33]=[C:34]([CH2:40][C:41]([F:44])([F:43])[F:42])[C:35](=[O:39])[NH:36]4)=[CH:31][CH:30]=3)[CH2:65][CH2:64]2)[C:62]2[C:57](=[CH:58][CH:59]=[CH:60][CH:61]=2)[CH:56]=[CH:55][CH:54]=1
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참가 물질

11

반응물 6

HCID 8471TriethylamineHCID 24477Sodium ThiosulfateHCID 159087TriacetoxyperiodinaneHCID 27373911-(1-Naphthyl)piperazine hydrochlorideHCID 5049666Sodium triacetoxyborohydrideHCID 210738427-(4-Hydroxy-butoxy)-3-(2,2,2-trifluoro-ethyl)-1h-[1,8]naphthyridin-2-one

생성물 1

HCID 21073811
7-[4-(4-Naphthalen-1-yl-piperazin-1-yl)-butoxy]-3-(2,2,2-trifluoro-ethyl)-1h-[1,8]naphthyridin-2-one
수율 50%

시약·촉매·용매 4

HCID 111,2-Dichloroethane용매HCID 3283Diethyl Ether용매HCID 6344Dichloromethane용매HCID 8028Tetrahydrofuran용매

실험 절차

To a suspension of Dess-Martin periodinane (0.419 g, 0.99 mmol, 1.2 eq) in CH2Cl2 (20 mL) was added a solution of 7-(4-hydroxy-butoxy)-3-(2,2,2-trifluoro-ethyl)-1H-[1,8]naphthyridin-2-one (0.26 g, 0.82 mmol) in THF (8 mL). The mixture was stirred at room temperature for 1 h. Et2O (100 mL) was added to dilute the reaction mixture. The reaction was quenched with aqueous NaHCO3 (20 mL) containing Na2S2O3 (0.91 g, 5.74 mmol, 7 eq). After extraction with Et2O (3×50 mL), the combined organic layer was washed with brine (20 mL), dried over Na2SO4, and concentrated to give the crude aldehyde as a pale yellow solid. To a solution of the crude aldehyde in 1,2-dichloroethane (20 mL) was added 1-naphthalen-1-yl-piperazine monohydrochloride (0.286 g, 1.15 mmol, 1.4 eq), Et3N (0.21 mL, 1.56 mmol, 1.9 eq) and NaBH(OAc)3 (0.241 g, 1.15 mmol, 1.4 eq). The mixture was stirred at room temperature for 1 h. The reaction was quenched with water and saturated NaHCO3. After extraction with CH2Cl2 (3×50 mL), the combined organic layer was dried over Na2SO4 and concentrated. The residue was purified by column chromatography (2% MeOH/CH2Cl2) to give the title compound (200 mg, 50% in two steps). 1H NMR (400 MHz, δ ppm): 9.05 (br s, 1H), 8.20 (d, J=6.2 Hz, 1H), 7.80 (d, J=6.0 Hz, 1H), 7.75 (m, 2H), 7.58 (d, J=6.3 Hz, 1H), 7.50 (m, 2H), 7.40 (t, J=6.3 Hz, 1H), 7.10 (d, J=5.3 Hz, 1H), 6.40 (d, J=6.5 Hz, 1H), 4.40 (t, J=4.2 Hz, 2H), 3.50 (q, J=7.5 Hz, 2H), 3.20 (br s, 4H), 2.80 (br s, 4H), 2.60 (m, 2H), 1.90 (m, 2H), 1.72 (m, 2H). 19F NMR: −65.6 ppm. MS: 511 (M+). Elemental Analysis calculated for C28H29F3N4O2: C, 65.88; H, 5.69; N, 10.98. Found: C, 66.08; H, 5.89; N, 10.67.

후처리

  1. additionto dilute the reaction mixture
  2. customThe reaction was quenched with aqueous NaHCO3 (20 mL)
  3. extractionAfter extraction with Et2O (3×50 mL)
  4. washthe combined organic layer was washed with brine (20 mL)
  5. dry with materialdried over Na2SO4
  6. concentrationconcentrated
  7. customto give the crude aldehyde as a pale yellow solid
  8. stirringThe mixture was stirred at room temperature for 1 h
  9. customThe reaction was quenched with water and saturated NaHCO3
  10. extractionAfter extraction with CH2Cl2 (3×50 mL)
  11. dry with materialthe combined organic layer was dried over Na2SO4
  12. concentrationconcentrated
  13. customThe residue was purified by column chromatography (2% MeOH/CH2Cl2)

출처 및 근거

ORD 기록
ord-ae36eadb1ff84ed0ae33213fc3b4efe5
출처 데이터셋
uspto-grants-2007_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07160888B2

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