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4-Fluorobenzaldehyde → Rac-3-cyclopentyl-3-(4-fluoro-benzylamino)-propionic acid methyl ester

HRID 421472
ノート
印刷プレビュー

反応式

HRID 421472 の反応式
C[Si](C=[N+]=[N-])(C)C.C(O[C:13]([NH:15][CH:16]([CH:21]1[CH2:25][CH2:24][CH2:23][CH2:22]1)[CH2:17][C:18]([OH:20])=[O:19])=O)(C)(C)C.[F:26][C:27]1[CH:34]=[CH:33][C:30](C=O)=[CH:29][CH:28]=1.[C:35]([O-])(=O)C.[Na+].C([BH3-])#N.[Na+]>C(OCC)C.C1(C)C=CC=CC=1.CO.C1C=CC=CC=1>[CH3:35][O:20][C:18](=[O:19])[CH2:17][CH:16]([CH:21]1[CH2:22][CH2:23][CH2:24][CH2:25]1)[NH:15][CH2:13][C:30]1[CH:33]=[CH:34][C:27]([F:26])=[CH:28][CH:29]=1
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

9

反応物 5

HCID 680234-FluorobenzaldehydeHCID 167693TrimethylsilyldiazomethaneHCID 517045Sodium AcetateHCID 5003444Sodium cyanoborohydrideHCID 223093393-((tert-Butoxycarbonyl)amino)-3-cyclopentylpropanoic acid

生成物 1

HCID 58000258Rac-3-cyclopentyl-3-(4-fluoro-benzylamino)-propionic acid methyl ester
収率 28.3%

試薬・触媒・溶媒 3

HCID 1140Toluene溶媒HCID 3283Diethyl Ether溶媒HCID 21927730Benzene methanol溶媒

反応条件

温度
25 °C

実験手順

(Trimethylsilyl)diazomethane (10.3 mL of a 1.0 M solution in diethyl ether, 20.6 mmol) was added over 5 min to a solution of racemic 3-tert-butoxycarbonylamino-3-cyclopentyl-propionic acid (2.65 g, 10.3 mmol) in a 1:1 mixture of methanol/benzene (130 mL) at 0° C. The resulting yellow solution was allowed to warm to 25° C. over 3.5 h, and then was concentrated in vacuo. The residue was dissolved in 1,4-dioxane (20 mL) at 25° C. and a 4.0 M solution of hydrochloric acid in 1,4-dioxane (15 mL) was subsequently added. After stirring at 25° C. for 16 h, the reaction mixture was concentrated in vacuo to afford a sticky oil. This material was dissolved in toluene (80 mL) and the solution was concentrated in vacuo (the process was then repeated). The resulting residue was dissolved in methanol (75 mL) at 25° C. and 4-fluorobenzaldehyde (1.10 mL, 10.3 mmol), sodium acetate (1.69 g, 20.6 mmol), powdered/activated 4 Å molecular sieves (2.0 g) and sodium cyanoborohydride (1.29 g, 20.5 mmol) were added sequentially. The mixture was stirred at 25° C. for 23 h, and then was filtered through Celite. The filtrate was partitioned between half-saturated aqueous sodium bicarbonate solution (150 mL) and ethyl acetate (2×150 mL). The combined organic layers were dried over sodium sulfate and were concentrated in vacuo. The residue was purified by flash column chromatography (Teledyne Isco RediSep column; 0-70% ethyl acetate in hexanes) to afford rac-3-cyclopentyl-3-(4-fluoro-benzylamino)-propionic acid methyl ester (0.812 g, 2.91 mmol, 28%) as a pale yellow oil. 1H NMR (400 MHz, CDCl3) δ: 1.16-1.30 (1H, m), 1.52-1.66 (2H, m), 1.69-1.76 (1H, m), 1.81-1.88 (1H, m), 1.95-2.03 (1H, m), 2.47 (1H, dd, J1=7.0 Hz, J2=14.9 Hz), 2.55 (1H, dd, J1=4.6 Hz, J2=14.8 Hz), 2.87-2.92 (1H, m), 3.68 (3H, s), 3.73 (1H, d, J=12.2 Hz), 3.81 (1H, d, J=12.1 Hz), 6.96-7.00 (2H, m), 7.27-7.31 (2H, m).

後処理

  1. concentrationwas concentrated in vacuo
  2. dissolutionThe residue was dissolved in 1,4-dioxane (20 mL) at 25° C.
  3. additiona 4.0 M solution of hydrochloric acid in 1,4-dioxane (15 mL) was subsequently added
  4. concentrationthe reaction mixture was concentrated in vacuo
  5. customto afford a sticky oil
  6. concentrationthe solution was concentrated in vacuo (the process
  7. dissolutionThe resulting residue was dissolved in methanol (75 mL) at 25° C.
  8. stirringThe mixture was stirred at 25° C. for 23 h
  9. filtrationwas filtered through Celite
  10. customThe filtrate was partitioned between half-saturated aqueous sodium bicarbonate solution (150 mL) and ethyl acetate (2×150 mL)
  11. dry with materialThe combined organic layers were dried over sodium sulfate
  12. concentrationwere concentrated in vacuo
  13. customThe residue was purified by flash column chromatography (Teledyne Isco RediSep column; 0-70% ethyl acetate in hexanes)

出典と根拠

ORDレコード
ord-80c8925301124dafb56f0b2bfdb29a09
出典データセット
uspto-grants-2012_01
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08097613B2

反応ノート

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