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Tetrahydrofuran → Ethyl 12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,8,11,13-hexaene-5-carboxylate

HRID 1435798
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HRID 1435798 반응식
Br[C:2]1[CH:3]=[CH:4][C:5]2[N:11]3[C:12](C)=[N:13]N=[C:10]3[CH2:9][N:8]=[C:7]([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)[C:6]=2[CH:22]=1.BrC1C=CC2C(C=1)=C(C1C=CC=CC=1)N=[CH:31][C:32](=[O:34])N=2.[H-].[Na+].N1(P(Cl)(N2CCOCC2)=O)CC[O:47][CH2:46][CH2:45]1.[K+].[Br-].[CH2:61]1COC[CH2:62]1>C(O)CCC>[C:61]([C:2]1[CH:3]=[CH:4][C:5]2[N:11]3[CH:12]=[N:13][C:45]([C:46]([O:34][CH2:32][CH3:31])=[O:47])=[C:10]3[CH2:9][N:8]=[C:7]([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)[C:6]=2[CH:22]=1)#[CH:62]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 6

HCID 8028TetrahydrofuranHCID 24758Sodium hydrideHCID 253877Potassium BromideHCID 12506606Bis(morpholino)phosphinyl chlorideHCID 12562546BromazolamHCID 219309577-Bromo-5-phenyl-1,4-benzodiazepine-2-one

생성물 1

HCID 21930923
Ethyl 12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,8,11,13-hexaene-5-carboxylate

시약·촉매·용매 1

HCID 2631-Butanol용매

실험 절차

8-Bromo-1-methyl-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine 8.3 A solution of 1 (1 g, 3.07 mmol of 7-bromo-5-phenyl-1,4-benzodiazepine-2-one) in dry THF (20 mL) was cooled in an ice-water bath and a 60% dispersion of sodium hydride (152.2 mg) was added in one portion. After 20 minutes, di-4-morpholinylphosphinic chloride (943.9 mg, 4.76 mmol) was added at 0° C. and this was stirred for 30 minutes and allowed to warm to room temperature (Ning, R Y., et al., (1976) J Org Chem 41: 2724-2727). The mixture was stirred for 1.5 hours. To this mixture was then added a solution of acetylhydrazide (521.9 mg, 7.14 mmol) in dry butanol (5 mL) and stirring was continued at room temperature for 10 min. The solvents were evaporated and the residue was dissolved in butanol (10 mL) and heated to reflux for 5 hours. Butanol was removed under reduced pressure and the residue was partitioned between CH2Cl2 (50 mL) and water (50 mL). The water layer was extracted by CH2Cl2 (3×30 mL). The combined organic layer was washed by brine (30 mL). The organic layer was dried (Na2SO4) and the solvent was removed under vacuum. The residue was purified by flash chromatography (silica gel) to provide pure 8 [539.5 mg (40% yield)] as a white solid: mp 268.5-270° C.; IR (KBr) 2358, 1607, 1538, 1484, 1311, 1000, 801, 697 cm−1; 1H NMR (CDCl3) δ 2.82(s, 3H), 4.11(d,1H, J=12.8Hz), 5.49 (d,1H, J=12.8Hz), 7.21-7.68(m, 7H), 7.75 (dd, 1H, J=0.58 Hz and 1.5Hz); MS (EI) m/e (relative intensity) 354 (34), (M+, 16), 352 (34), 325(33), 323 (34), 273 (63), 245 (31), 232 (19), 204 (100), 183(23), 177 (36), 151 (24). Anal. Calcd. for C17H13BrN4: C, 57.81; H, 3.71; N, 15.86. Found C, 57.57; H,3.64: N, 15.70.

후처리

  1. stirringThe mixture was stirred for 1.5 hours
  2. stirringstirring
  3. waitwas continued at room temperature for 10 min
  4. customThe solvents were evaporated
  5. dissolutionthe residue was dissolved in butanol (10 mL)
  6. temperatureheated
  7. temperatureto reflux for 5 hours
  8. customButanol was removed under reduced pressure
  9. customthe residue was partitioned between CH2Cl2 (50 mL) and water (50 mL)
  10. extractionThe water layer was extracted by CH2Cl2 (3×30 mL)
  11. washThe combined organic layer was washed by brine (30 mL)
  12. dry with materialThe organic layer was dried (Na2SO4)
  13. customthe solvent was removed under vacuum
  14. customThe residue was purified by flash chromatography (silica gel)
  15. customto provide pure 8 [539.5 mg (40% yield)] as a white solid

출처 및 근거

ORD 기록
ord-49ee0e88b5b9402ab6058b52c288e900
출처 데이터셋
uspto-grants-2009_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07618958B2

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