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

HRID 1373596
ノート
印刷プレビュー

反応式

HRID 1373596 の反応式
CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=O.[F:23][C:24]1[C:25](=[O:40])[NH:26][C:27]2[C:32]([CH:33]=1)=[CH:31][CH:30]=[C:29]([O:34][CH2:35][CH2:36][CH2:37][CH2:38]O)[N:28]=2.[O-]S([O-])(=S)=O.[Na+].[Na+].Cl.[C:49]1([N:59]2[CH2:64][CH2:63][NH:62][CH2:61][CH2:60]2)[C:58]2[C:53](=[CH:54][CH:55]=[CH:56][CH:57]=2)[CH:52]=[CH:51][CH:50]=1.CCN(CC)CC.[BH-](OC(C)=O)(OC(C)=O)OC(C)=O.[Na+]>C(Cl)Cl.C1COCC1.CCOCC.ClCCCl.CS(C)=O>[F:23][C:24]1[C:25](=[O:40])[NH:26][C:27]2[C:32]([CH:33]=1)=[CH:31][CH:30]=[C:29]([O:34][CH2:35][CH2:36][CH2:37][CH2:38][N:62]1[CH2:61][CH2:60][N:59]([C:49]3[C:58]4[C:53](=[CH:54][CH:55]=[CH:56][CH:57]=4)[CH:52]=[CH:51][CH:50]=3)[CH2:64][CH2:63]1)[N:28]=2
参加物実験手順後処理出典と根拠反応ノート

参加物

12

反応物 6

HCID 8471TriethylamineHCID 24477Sodium ThiosulfateHCID 159087TriacetoxyperiodinaneHCID 27373911-(1-Naphthyl)piperazine hydrochlorideHCID 5049666Sodium triacetoxyborohydrideHCID 210733033-Fluoro-7-(4-hydroxy-butoxy)-1h-[1,8]naphthyridin-2-one

生成物 1

HCID 21073302
3-Fluoro-7-[4-(4-naphthalen-1-yl-piperazin-1-yl)-butoxy]-1h-[1,8]naphthyridin-2-one
収率 64.2%

試薬・触媒・溶媒 5

HCID 111,2-Dichloroethane溶媒HCID 679Dimethyl Sulfoxide溶媒HCID 3283Diethyl Ether溶媒HCID 6344Dichloromethane溶媒HCID 8028Tetrahydrofuran溶媒

実験手順

To a suspension of Dess-Martin periodinane (0.79 g, 1.86 mmol, 1.2 eq) in CH2Cl2 (20 mL) was added a solution of 3-fluoro-7-(4-hydroxy-butoxy)-1H-[1,8]naphthyridin-2-one (0.39 g, 1.5 mmol) in THF (6 mL)/DMSO (2 mL). The mixture was stirred at room temperature for 1.5 h. The reaction mixture was diluted with Et2O (100 mL) and quenched with aqueous NaHCO3 (20 mL) containing Na2S2O3 (1.66 g, 10.5 mmol, 7 eq). After extraction with Et2O (3×40 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 aldehyde in 1,2-dichloroethane (20 mL) was added 1-naphthalen-1-yl-piperazine monohydrochloride (0.522 g, 2.1 mmol, 1.4 eq), Et3N (0.38 mL, 2.85 mmol, 1.9 eq) and NaBH(OAc)3 (0.445 g, 2.1 mmol, 1.4 eq). The mixture was stirred at room temperature for 1 h and 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 (3% MeOH/CH2Cl2) to give the title compound (430 mg, 62% in two steps). 1H NMR (400 MHz, δ ppm): 12.60 (br s, 1H), 8.10 (d, J=6.0 Hz, 1H), 8.00 (d, J=7.2 Hz, 1H), 7.85 (m, 2H), 7.60 (d, J=6.0 Hz, 1H), 7.50 (m, 2H), 7.40 (d, J=6.0 Hz, 1H), 7.10 (d, J=6.0 Hz, 1H), 6.75 (d, J=7.0 Hz, 1H), 4.35 (t, J=4.0 Hz, 2H), 3.00 (br s, 4H), 2.60 (br s, 4H), 2.40 (t, J=3.8 Hz, 2H), 1.80 (m, 2H), 1.60 (m, 2H); 19F NMR: −140 ppm; MS: 447 (M+H)+ (Exact Mass: 446.21).

後処理

  1. customquenched with aqueous NaHCO3 (20 mL)
  2. extractionAfter extraction with Et2O (3×40 mL)
  3. washthe combined organic layer was washed with brine (20 mL)
  4. dry with materialdried over Na2SO4
  5. concentrationconcentrated
  6. customto give the crude aldehyde as a pale yellow solid
  7. stirringThe mixture was stirred at room temperature for 1 h
  8. customquenched with water and saturated NaHCO3
  9. extractionAfter extraction with CH2Cl2 (3×50 mL)
  10. dry with materialthe combined organic layer was dried over Na2SO4
  11. concentrationconcentrated
  12. customThe residue was purified by column chromatography (3% MeOH/CH2Cl2)

出典と根拠

ORDレコード
ord-861c51b4f18f4e06bade8f18e621456e
出典データセット
uspto-grants-2007_01
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07160888B2

反応ノート

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