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Acetic Acid → (R)-3-[N-(5'-Chloro-2'-fluorobiphenyl-4-ylmethyl)-N'-(3-methoxyisoxazole-5-carbonyl)hydrazino]-2-hydroxypropionic Acid Acetoxymethyl Ester

HRID 541519
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HRID 541519 반응식
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([F:32])=[C:6]([C:8]2[CH:13]=[CH:12][C:11]([CH2:14][N:15]([CH2:26][C@@H:27]([OH:31])[C:28]([OH:30])=[O:29])[NH:16][C:17]([C:19]3[O:23][N:22]=[C:21]([O:24][CH3:25])[CH:20]=3)=[O:18])=[CH:10][CH:9]=2)[CH:7]=1.CC(C)=O.[C:37]([O:40][CH2:41]Br)(=[O:39])[CH3:38].CCN(CC)CC.CC(O)=O>>[C:37]([O:40][CH2:41][O:29][C:28](=[O:30])[C@H:27]([OH:31])[CH2:26][N:15]([CH2:14][C:11]1[CH:10]=[CH:9][C:8]([C:6]2[CH:7]=[C:2]([Cl:1])[CH:3]=[CH:4][C:5]=2[F:32])=[CH:13][CH:12]=1)[NH:16][C:17]([C:19]1[O:23][N:22]=[C:21]([O:24][CH3:25])[CH:20]=1)=[O:18])(=[O:39])[CH3:38]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 176Acetic AcidHCID 180AcetoneHCID 8471TriethylamineHCID 68536Bromomethyl acetateHCID 67972936(R)-3-[N-(5'-Chloro-2'-fluorobiphenyl-4-ylmethyl)-N'-(3-methoxyisoxazole-5-carbonyl)hydrazino]-2-hydroxypropionic Acid

생성물 1

HCID 86705097
(R)-3-[N-(5'-Chloro-2'-fluorobiphenyl-4-ylmethyl)-N'-(3-methoxyisoxazole-5-carbonyl)hydrazino]-2-hydroxypropionic Acid Acetoxymethyl Ester
수율 26.7%

실험 절차

To a solution of (R)-3-[N-(5′-chloro-2′-fluorobiphenyl-4-ylmethyl)-N′-(3-methoxyisoxazole-5-carbonyl)hydrazino]-2-hydroxypropionic acid (40.0 mg, 0.1 mmol) in acetone (1.0 mL, 14 mmol) was added bromomethyl acetate (16.9 μL, 172 μmol) followed by Et3N (24.0 μL, 172 μmol), and resulting mixture was stirred for 90 minutes. The reaction was quenched with AcOH (19.6 μL, 345 μmol) and the mixture was concentrated. The residue was dissolved in AcOH (3 mL), filtered, and purified by reverse phase preparative HPLC. The desired fractions were combined and lyophilized. The solid was dissolved in AcOH (1.5 mL), filtered, and purified by reverse phase preparative HPLC to yield the title compound (14.3 mg, purity 97.8%) as a TFA salt. MS m/z [M+H]+ calc'd for C24H23ClFN3O8, 536.12. found 536.2.

후처리

  1. customresulting mixture
  2. concentrationthe mixture was concentrated
  3. dissolutionThe residue was dissolved in AcOH (3 mL)
  4. filtrationfiltered
  5. custompurified by reverse phase preparative HPLC
  6. dissolutionThe solid was dissolved in AcOH (1.5 mL)
  7. filtrationfiltered
  8. custompurified by reverse phase preparative HPLC

출처 및 근거

ORD 기록
ord-06789b2b9c044b07b0fff5758458ddcf
출처 데이터셋
uspto-grants-2014_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08871792B2

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