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4-Methylmorpholine → HCID 135850842, 화합물

HRID 899400
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HRID 899400 반응식
[N:1]1([CH:10]([NH:14][C:15]([O:17][CH2:18][C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)=[O:16])[C:11](O)=[O:12])C2C=CC=CC=2N=N1.C(Cl)(=O)C(Cl)=O.[NH2:31][C:32]1[CH:37]=[C:36]([Br:38])[CH:35]=[CH:34][C:33]=1[C:39](=O)[CH3:40].CN1CCOCC1.C([O-])(=O)C.[NH4+].[OH-].[Na+]>C(Cl)Cl.O1CCCC1.CO.O.CN(C)C=O>[Br:38][C:36]1[CH:35]=[CH:34][C:33]2[C:39]([CH3:40])=[N:1][CH:10]([NH:14][C:15](=[O:16])[O:17][CH2:18][C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=3)[C:11](=[O:12])[NH:31][C:32]=2[CH:37]=1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

12

반응물 6

HCID 79724-MethylmorpholineHCID 14798Sodium HydroxideHCID 65578Oxalyl chlorideHCID 517165Ammonium AcetateHCID 4315963(1H-Benzotriazol-1-yl)(((benzyloxy)carbonyl)amino)acetic acidHCID 145036141-(2-Amino-4-bromophenyl)ethanone

생성물 1

HCID 135850842
HCID 135850842, 화합물
수율 53.2%

시약·촉매·용매 5

HCID 887Methanol용매HCID 962Water용매HCID 6228Dimethylformamide용매HCID 6344Dichloromethane용매2회HCID 8028Tetrahydrofuran용매

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온도
0 °C

실험 절차

Under an argon atmosphere 1H-1,2,3-benzotriazol-1-yl{[(benzyloxy)carbonyl]amino}acetic acid (6.71 g, 20.6 mmol) was suspended in anhydrous methylene chloride (92 ml) and cooled to 0° C. in an ice bath. Oxalyl chloride (2.61 g, 20.6 mmol), then N,N-dimethylformamide (38 ml) were added dropwise to the suspension. The reaction mixture was stirred at 0° C. in an ice bath for 30 minutes, at which point no further gas evolution was noted. Then a solution of 1-(2-amino-4-bromophenyl)ethanone (4.0 g, 18.7 mmol) and 4-methylmorpholine (2.84 g, 28.0 mmol) in anhydrous methylene chloride (60 ml) was added dropwise. The reaction mixture was allowed to warm to room temperature over 12 hours, then quenched with water (200 ml), and extracted with ethyl acetate (3×250 ml). The organic layers were combined, dried over magnesium sulfate, filtered and concentrated to give a semi-solid which was dissolved in tetrahydrofuran (120 ml) and methyl alcohol (35 ml). Ammonia gas was bubbled through this solution for 2.5 hours. The reaction was then concentrated to a viscous light brown oil. The oil was dissolved in acetic acid (120 ml) and ammonium acetate (4.3 g, 56.1 mmol) was added in one portion and stirred for 12 hours. The reaction mixture was diluted with water (100 ml) and then made basic (pH=10) with 25% sodium hydroxide, while stirring in an ice bath. The aqueous solution was then extracted with ethyl acetate (3×500 ml) and the organic layers combined, dried over magnesium sulfate, filtered and concentrated. The resulting residue was purified on silica gel, eluting with 40% ethyl acetate in hexanes to give the title compound (4 g, 53%). 1H NMR (CDCl3, 300 MHz): δ 9.90 (s-br, 1 H), 7.42-7.31 (m, 6 H), 7.12 (d, 1 H, 1.5 Hz), 7.06-7.03 (m, 1 H), 5.18-5.08 (m, 3 H), 2.50 (s, 3 H) ppm.

후처리

  1. temperatureto warm to room temperature over 12 hours
  2. customquenched with water (200 ml)
  3. extractionextracted with ethyl acetate (3×250 ml)
  4. dry with materialdried over magnesium sulfate
  5. filtrationfiltered
  6. concentrationconcentrated
  7. customto give a semi-solid which
  8. customAmmonia gas was bubbled through this solution for 2.5 hours
  9. concentrationThe reaction was then concentrated to a viscous light brown oil
  10. dissolutionThe oil was dissolved in acetic acid (120 ml)
  11. stirringstirred for 12 hours
  12. stirringwhile stirring in an ice bath
  13. extractionThe aqueous solution was then extracted with ethyl acetate (3×500 ml)
  14. dry with materialdried over magnesium sulfate
  15. filtrationfiltered
  16. concentrationconcentrated
  17. customThe resulting residue was purified on silica gel
  18. washeluting with 40% ethyl acetate in hexanes

출처 및 근거

ORD 기록
ord-a570c9ed3ecf4d0c98b0f7f6d23f208e
출처 데이터셋
uspto-grants-2008_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07354914B2

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