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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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1,2-Dichloroethane → {2-[1-(4-Cyano-3-fluoro-phenyl)-1-(3-methyl-3H-imidazol-4-yl)-ethylcarbamoyl]-ethyl}-carbamic acid

HRID 1060884
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HRID 1060884 반응식
C([O:5][C:6]([NH:8][CH2:9][CH2:10][C:11]([OH:13])=O)=[O:7])(C)(C)C.N1C2C(=NC=CC=2)N(O)N=1.C(Cl)CCl.CN1CCOCC1.[NH2:35][C:36]([C:44]1[CH:51]=[CH:50][C:47]([C:48]#[N:49])=[C:46]([F:52])[CH:45]=1)([C:38]1[N:39]([CH3:43])[CH:40]=[N:41][CH:42]=1)[CH3:37]>CN(C=O)C>[C:48]([C:47]1[CH:50]=[CH:51][C:44]([C:36]([NH:35][C:11]([CH2:10][CH2:9][NH:8][C:6](=[O:7])[OH:5])=[O:13])([C:38]2[N:39]([CH3:43])[CH:40]=[N:41][CH:42]=2)[CH3:37])=[CH:45][C:46]=1[F:52])#[N:49]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 5

HCID 111,2-DichloroethaneHCID 79724-MethylmorpholineHCID 76809N-((1,1-dimethylethoxy)carbonyl)-beta-alanineHCID 181649HOAtHCID 11470581(+)-4-[1-amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-fluoro-benzonitrile

생성물 1

HCID 70025288{2-[1-(4-Cyano-3-fluoro-phenyl)-1-(3-methyl-3H-imidazol-4-yl)-ethylcarbamoyl]-ethyl}-carbamic acid

시약·촉매·용매 1

HCID 6228Dimethylformamide용매

실험 절차

To a solution of 3-tert-butoxycarbonylamino-propionic acid (0.77 g, 4.09 mmol) in DMF (8.2 mL) at ambient temperature was added [1,2,3]triazolo[4,5-b]pyridin-3-ol (HOAT) (0.53 g, 3.89 mmol), EDC (0.82 g, 4.30 mmol), and 4-methylmorpholine (0.41 g, 4.09 mmol), followed by (+)-4-[1-amino-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-2-fluoro-benzonitrile (Example 1, Step I) (1.00 g, 4.09 mmol). After stirring overnight, the reaction was concentrated in vacuo to remove the DMF. The residue was partitioned between EtOAc and saturated aqueous NaHCO3 solution, the organic layer washed with brine, dried (Na2SO4), and concentrated in vacuo to provide the crude title compound.

후처리

  1. concentrationthe reaction was concentrated in vacuo
  2. customto remove the DMF
  3. customThe residue was partitioned between EtOAc and saturated aqueous NaHCO3 solution
  4. washthe organic layer washed with brine
  5. dry with materialdried (Na2SO4)
  6. concentrationconcentrated in vacuo

출처 및 근거

ORD 기록
ord-97dadc4a13ae421fa9725a7fbfe48654
출처 데이터셋
uspto-grants-2003_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06525074B2

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