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Methanol → (2R,3R)-3-((5-(benzyloxymethyl)-4-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino)butane-1,2,4-triol

HRID 533190
ノート
印刷プレビュー

反応式

HRID 533190 の反応式
[CH2:1]([O:8][CH2:9][N:10]1[C:18]2[C:17]([O:19][CH3:20])=[N:16][CH:15]=[N:14][C:13]=2[C:12]([CH2:21][NH:22][C@@H:23]([C@@H:29]([OH:35])[C:30](OCC)=[O:31])[C:24](OCC)=[O:25])=[CH:11]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CO.[BH4-].[Li+].C1C=C2C(C(O)(O)C(=O)C2=CC=1)=O>C1COCC1.C(OCC)(=O)C.[O-][Mo]([O-])(=O)=O>[CH2:1]([O:8][CH2:9][N:10]1[C:18]2[C:17]([O:19][CH3:20])=[N:16][CH:15]=[N:14][C:13]=2[C:12]([CH2:21][NH:22][C@H:23]([CH2:24][OH:25])[C@@H:29]([OH:35])[CH2:30][OH:31])=[CH:11]1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

8

反応物 4

HCID 887Methanol3 回HCID 10236NinhydrinHCID 4148881Lithium borohydride2 回HCID 25223290(2S,3R)-diethyl 2-((5-(benzyloxymethyl)-4-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino)-3-hydroxysuccinate

生成物 1

HCID 25223392(2R,3R)-3-((5-(benzyloxymethyl)-4-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino)butane-1,2,4-triol

試薬・触媒・溶媒

3
HCID 24621Molybdate ion触媒HCID 8028Tetrahydrofuran溶媒HCID 8857Ethyl Acetate溶媒

実験手順

To a refluxing solution of (2S,3R)-diethyl 2-((5-(benzyloxymethyl)-4-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino)-3-hydroxysuccinate (0.6 g, 1.233 mmol) in THF (10 ml) and methanol (0.499 ml, 12.33 mmol) was added lithium borohydride (0.134 g, 6.17 mmol) in portions over about 1 h. Tlc (CH2Cl2-MeOH-cNH3, 9:1:0.1) still showed (uv, ninhydrin or molybdate) sm. More MeOH (0.5 ml) was added and small portions of LiBH4 (total ˜134 mg) added over about 1 h until tlc showed reaction finished. The solvent was evaporated and the residue chromatographed (CH2Cl2-MeOH-cNH3, 95:5:0.5, then 85:15:0.5) to give a colourless gum which soon crystallized (214 mg, 41%). The gum was of sufficient purity to proceed to the next step, but a small quantity was recrystallised by dissolving a portion of the crude (2R,3R)-3-((5-(benzyloxymethyl)-4-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino)butane-1,2,4-triol in MeOH and evaporating the solvent to leave a mobile gum. The gum was dissolved in hot ethyl acetate, cooled to rt and seeded. The colourless solid was filtered off and dried to give clusters of very tiny crystals under the microscope. Mpt 108-109° C. [α]D18 −6.1 (c 0.59, MeOH). 1H NMR (CD3OD, 300 MHz), δ ppm, 8.42 (s, 1H), 7.64 (s, 1H), 7.28-7.16 (m, 5H), 5.75 (s, 2H), 4.50 (s, 2H), 4.10 (s, 3H), 3.83-3.68 (m, 3H), 3.63 (d, 2H, J 5.5 Hz), 3.31 (pentet, 1H, J 1.6 Hz). 13C NMR (CD3OD, 75.5 MHz), δ ppm, 158.0 (C), 150.8 (CH), 150.7 (C), 138.8 (C), 134.2 (CH), 129.3 (CH), 128.8 (CH), 128.6 (CH), 117.0 (C), 116.1 (C), 78.5 (CH2), 72.1 (CH), 71.5 (CH2), 65.6 (CH2), 62.3 (CH), 61.0 (CH2), 54.3 (CH3), 41.6 (CH2). +ESMS Found 403.1980 (M+H)+ C20H27N4O5 requires 403.1981.

後処理

  1. customreaction
  2. customThe solvent was evaporated
  3. customthe residue chromatographed (CH2Cl2-MeOH-cNH3, 95:5:0.5
  4. custom85:15:0.5) to give a colourless gum which
  5. customsoon crystallized (214 mg, 41%)
  6. customa small quantity was recrystallised
  7. dissolutionby dissolving a portion of the crude (2R,3R)-3-((5-(benzyloxymethyl)-4-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino)butane-1,2,4-triol in MeOH
  8. customevaporating the solvent
  9. customto leave a mobile gum
  10. filtrationThe colourless solid was filtered off
  11. customdried
  12. customto give clusters of very tiny crystals under the microscope

出典と根拠

ORDレコード
ord-27eb0df296cf4e998d7fbccf4a3e2a2a
出典データセット
uspto-grants-2014_10
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08853224B2

反応ノート

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