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Formaldehyde → Methyl (2s,3s,5s)-5-hydroxy-1-methyl-2-[(4-phenyl-3,6-dihydropyridin-1(2h)-yl)carbonyl]piperidine-3-carboxylate

HRID 61455
ノート
印刷プレビュー

反応式

HRID 61455 の反応式
[OH:1][C@@H:2]1[CH2:7][NH:6][C@H:5]([C:8]([OH:10])=O)[C@@H:4]([C:11]([O:13][CH3:14])=[O:12])[CH2:3]1.Cl.[C:16]1([C:22]2[CH2:23][CH2:24][NH:25][CH2:26][CH:27]=2)[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1.F[P-](F)(F)(F)(F)F.N1(O[P+](N(C)C)(N(C)C)N(C)C)C2C=CC=C[C:38]=2N=N1.CN(C)C=O.C(N(CC)C(C)C)(C)C.C(#N)C.O1CCCC1.C=O.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>O>[OH:1][C@@H:2]1[CH2:7][N:6]([CH3:38])[C@H:5]([C:8]([N:25]2[CH2:24][CH:23]=[C:22]([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)[CH2:27][CH2:26]2)=[O:10])[C@@H:4]([C:11]([O:13][CH3:14])=[O:12])[CH2:3]1
参加物実験手順後処理出典と根拠反応ノート

参加物

11

反応物 9

HCID 712FormaldehydeHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 151348Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium hexafluorophosphateHCID 27238604-Phenyl-1,2,3,6-tetrahydropyridine hydrochloride
HCID 5049666Sodium triacetoxyborohydride
HCID 67304506(2S,3S,5S)-5-hydroxy-3-(methoxycarbonyl)piperidine-2-carboxylic acid

生成物 1

HCID 67304114Methyl (2s,3s,5s)-5-hydroxy-1-methyl-2-[(4-phenyl-3,6-dihydropyridin-1(2h)-yl)carbonyl]piperidine-3-carboxylate収率 85%

試薬・触媒・溶媒 1

HCID 962Water溶媒

実験手順

A mixture of (2S,3S,5S)-5-hydroxy-3-(methoxycarbonyl)piperidine-2-carboxylic acid (0.309 g, 0.00152 mol), 4-phenyl-1,2,3,6-tetrahydropyridine hydrochloride (0.357 g, 0.00182 mol) and benzotriazol-1-yloxytris(dimethylamino)phosphonium hexafluorophosphate (0.807 g, 0.00182 mol) in N,N-dimethylformamide (2.50 mL, 0.0323 mol) was stirred at rt for 5 min, then treated with N,N-diisopropylethylamine (0.636 mL, 0.00365 mol) at rt for 2 h. The reaction mixture was diluted with acetonitrile (5.0 mL, 0.096 mol) and tetrahydrofuran (5.0 mL, 0.062 mol). To the mixture was added 12.32 M of formaldehyde in Water (0.41 mL) followed by sodium triacetoxyborohydride (1.1 g, 0.0051 mol). After stirred at rt overnight, the mixture was concentrated to dry, then diluted with aq. sodium bicarbonate, extracted with EtOAc. The combined organic layers were washed with brine, dried and concentrated to dry. The residue was applied on silica gel, eluting with 0 to 100% EtOAc in hexane, to yield the methyl amine compound (0.31 g, 85%). MS (ESI): (M+H)+=358.1.

後処理

  1. stirringAfter stirred at rt overnight
  2. concentrationthe mixture was concentrated
  3. customto dry
  4. additiondiluted with aq. sodium bicarbonate
  5. extractionextracted with EtOAc
  6. washThe combined organic layers were washed with brine
  7. customdried
  8. concentrationconcentrated
  9. customto dry
  10. washeluting with 0 to 100% EtOAc in hexane

出典と根拠

ORDレコード
ord-982aa7269799479685fa4e1f1ce92310
出典データセット
uspto-grants-2016_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09440958B2

反応ノート

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