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Diisopropylethylamine → 3-Fluoro-4'-{(1r)-1-[({1-[(3,3,3-trifluoropropanoyl)amino]cyclopropyl}carbonyl)-amino]ethyl}-1,1'-biphenyl-2-carboxylic acid

HRID 10069
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HRID 10069 반응식
[F:1][C:2]([F:8])([F:7])[CH2:3][C:4](O)=[O:5].Cl.C(N=C=NCCCN(C)C)C.ON1C2N=CC=CC=2N=N1.[NH2:31][C:32]1([C:35]([NH:37][C@@H:38]([C:40]2[CH:45]=[CH:44][C:43]([C:46]3[C:47]([C:53]([OH:55])=[O:54])=[C:48]([F:52])[CH:49]=[CH:50][CH:51]=3)=[CH:42][CH:41]=2)[CH3:39])=[O:36])[CH2:34][CH2:33]1.C(N(CC)C(C)C)(C)C>C(Cl)Cl>[F:52][C:48]1[CH:49]=[CH:50][CH:51]=[C:46]([C:43]2[CH:42]=[CH:41][C:40]([C@H:38]([NH:37][C:35]([C:32]3([NH:31][C:4](=[O:5])[CH2:3][C:2]([F:8])([F:7])[F:1])[CH2:34][CH2:33]3)=[O:36])[CH3:39])=[CH:45][CH:44]=2)[C:47]=1[C:53]([OH:55])=[O:54]
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참가 물질

7

반응물 5

HCID 81531DiisopropylethylamineHCID 181649HOAtHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 27779723,3,3-Trifluoropropionic acidHCID 695631874'-((1R)-1-{[(1-aminocyclopropyl)carbonyl]amino}ethyl)-3-fluoro-1,1'-biphenyl-2-carboxylic acid

생성물 1

HCID 69564068
3-Fluoro-4'-{(1r)-1-[({1-[(3,3,3-trifluoropropanoyl)amino]cyclopropyl}carbonyl)-amino]ethyl}-1,1'-biphenyl-2-carboxylic acid

시약·촉매·용매 1

HCID 6344Dichloromethane용매2회

실험 절차

To a solution of trifluoropropionic acid (128 mg, 1.0 mmol) in DCM (1 mL), 1-ethyl-(3-dimethylaminopropyl)carbodiimide hydrochloride (229 mg, 1.2 mmol) and 1-hydroxy-7-azabenzotriazole (136 mg, 1.0 mmol) were added. The resulting solution was stirred at room temperature for 20 minutes, then 4′-((1R)-1-{[(1-aminocyclopropyl)carbonyl]amino}ethyl)-3-fluoro-1,1′-biphenyl-2-carboxylic acid (171 mg, 0.5 mmol) in 1 mL DCM was added, followed by N,N-diisopropylethylamine until pH=10 was achieved. The reaction mixture was stirred at ambient temperature under N2 for 2 hours, concentrated under vacuum and then partitioned between water and ethyl acetate. The organic extract was washed with brine, dried over anhydrous magnesium sulfate, filtered and concentrated under vacuum. The residue was subjected to column chromatography on silica gel eluted with 40% MeOH in CHCl3. Collection and concentration of appropriate fractions provided 3-fluoro-4′-{(1R)-1-[({1-[(3,3,3-trifluoropropanoyl)amino]cyclopropyl}carbonyl)-amino]ethyl}-1,1′-biphenyl-2-carboxylic acid as a white powder.

후처리

  1. stirringThe reaction mixture was stirred at ambient temperature under N2 for 2 hours
  2. concentrationconcentrated under vacuum
  3. custompartitioned between water and ethyl acetate
  4. extractionThe organic extract
  5. washwas washed with brine
  6. dry with materialdried over anhydrous magnesium sulfate
  7. filtrationfiltered
  8. concentrationconcentrated under vacuum
  9. washeluted with 40% MeOH in CHCl3
  10. customCollection and concentration of appropriate fractions

출처 및 근거

ORD 기록
ord-dd2ed1d732e747bca66ca981bc217465
출처 데이터셋
uspto-grants-2006_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07091380B2

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