반응 #60895

ord-5db5d36b35084a36a13d99a10893518c

반응 방정식

CN(C)C(=O)Cl
dimethylcarbamyl chloride
O=Cc1ccccc1
benzaldehyde
CCN(C(C)C)C(C)C
DIPEA
Cn1cnc(-c2ccccc2)c1-c1nc2c(N(C(=O)c3ccccc3)C(=O)c3ccccc3)ncnc2s1
N-Benzoyl-N-[2-(1-methyl-4-phenyl-1H-imidazol-5-yl)[1,3]thiazolo[5,4-d]pyrimidin-7-yl]benzamide
CCN(C(C)C)C(C)C
DIPEA
CN(C)C(=O)Cl
dimethylcarbamyl chloride
O=Cc1ccccc1
benzaldehyde
Cn1cnc(-c2ccccc2)c1-c1nc2c(N(C(=O)c3ccccc3)C(=O)c3ccccc3)ncnc2s1
Intermediate 96
Cn1cnc(-c2ccccc2)c1-c1nc2c(N(C(=O)c3ccccc3)C(=O)c3ccccc3)ncnc2s1
N-Benzoyl-N-[2-(1-methyl-4-phenyl-1H-imidazol-5-yl)[1,3]thiazolo[5,4-d]pyrimidin-7-yl]benzamide
CN(C)C(=O)OC(c1ccccc1)c1nc(-c2ccccc2)c(-c2nc3c(N)ncnc3s2)n1C
title compound
수율 68.0%
CN(C)C(=O)OC(c1ccccc1)c1nc(-c2ccccc2)c(-c2nc3c(N)ncnc3s2)n1C
[5-(7-Amino[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenyl-1H-imidazol-2-yl](phenyl)methyl dimethylcarbamate
수율 68.0%

반응 조건

온도
55°CELSIUS
상세 조건
See reaction.notes.procedure_details.

후처리

  1. 1
    온도The reaction mixture was heated
  2. 2
    온도at reflux for 24 hours
  3. 3
    온도After heating for 5 days
  4. 4
    농축the reaction mixture was concentrated in vacuo
  5. 5
    workup.ADDITIONdiluted with saturated NaHCO3 solution (5 mL)
  6. 6
    추출then extracted with DCM (2×10 mL)
  7. 7
    건조The combined organics were dried (MgSO4)
  8. 8
    여과filtered
  9. 9
    농축concentrated in vacuo
  10. 10
    기타to give a brown residue which
  11. 11
    농축then concentrated in vacuo
  12. 12
    workup.ADDITIONdiluted with 2M NaOH (8 mL)
  13. 13
    추출extracted with DCM (1×20 mL)
  14. 14
    건조The organic layer was dried (MgSO4)
  15. 15
    여과filtered
  16. 16
    농축concentrated in vacuo
  17. 17
    기타giving a residue which
  18. 18
    기타was purified by flash chromatography on silica (2% MeOH/DCM)

실험 절차

N-Benzoyl-N-[2-(1-methyl-4-phenyl-1H-imidazol-5-yl)[1,3]thiazolo[5,4-d]pyrimidin-7-yl]benzamide (Intermediate 96) (0.05 g) was dissolved/suspended in MeCN (5 mL), dimethylcarbamyl chloride (0.015 mL) added, then benzaldehyde (16 mg) and DIPEA (0.05 mL). The reaction mixture was heated at reflux for 24 hours then additional dimethylcarbamyl chloride (0.015 mL), benzaldehyde (16 mg) and DIPEA (0.05 mL) added. After heating for 5 days, the reaction mixture was concentrated in vacuo, diluted with saturated NaHCO3 solution (5 mL) then extracted with DCM (2×10 mL). The combined organics were dried (MgSO4), filtered and concentrated in vacuo to give a brown residue which was dissolved in MeOH (2 mL)/concentrated aqueous NH3 (2 mL). The reaction mixture was heated at 55° C. for 1 hours then concentrated in vacuo, diluted with 2M NaOH (8 mL) and extracted with DCM (1×20 mL). The organic layer was dried (MgSO4), filtered, concentrated in vacuo giving a residue which was purified by flash chromatography on silica (2% MeOH/DCM) to give the title compound as a colourless solid (0.033 g, 68%);

출처

DOI: 10.6084/m9.figshare.5104873.v1특허: US07427616B2uspto-grants-2008_09