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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
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HRID 533190 반응식
[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
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참가 물질

8

반응물 4

HCID 887Methanol3회HCID 10236NinhydrinHCID 4148881Lithium borohydride2회HCID 25223290(2S,3R)-diethyl 2-((5-(benzyloxymethyl)-4-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino)-3-hydroxysuccinate

생성물 1

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

시약·촉매·용매 3

HCID 24621Molybdate ion촉매HCID 8028Tetrahydrofuran용매HCID 8857Ethyl Acetate용매

실험 절차

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.

후처리

  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

출처 및 근거

ORD 기록
ord-27eb0df296cf4e998d7fbccf4a3e2a2a
출처 데이터셋
uspto-grants-2014_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08853224B2

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