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1,2-Dichloroethane → (R)-3-[N-(5'-Chloro-2'-fluorobiphenyl-4-ylmethyl)-N'-(3-methoxyisoxazole-5-carbonyl)hydrazino]-2-hydroxypropionic Acid 2-Morpholin-4-ylethyl Ester

HRID 541523
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HRID 541523 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.C(Cl)CCl.C1C=C2N=NN(O)C2=CC=1.O.C(Cl)Cl.[N:51]1([CH2:57][CH2:58]O)[CH2:56][CH2:55][O:54][CH2:53][CH2:52]1>>[N:51]1([CH2:57][CH2:58][O:29][C:28](=[O:30])[C@H:27]([OH:31])[CH2:26][N:15]([CH2:14][C:11]2[CH:10]=[CH:9][C:8]([C:6]3[CH:7]=[C:2]([Cl:1])[CH:3]=[CH:4][C:5]=3[F:32])=[CH:13][CH:12]=2)[NH:16][C:17]([C:19]2[O:23][N:22]=[C:21]([O:24][CH3:25])[CH:20]=2)=[O:18])[CH2:56][CH2:55][O:54][CH2:53][CH2:52]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 111,2-DichloroethaneHCID 6344DichloromethaneHCID 611632-MorpholinoethanolHCID 27960291-Hydroxybenzotriazole hydrateHCID 67972936(R)-3-[N-(5'-Chloro-2'-fluorobiphenyl-4-ylmethyl)-N'-(3-methoxyisoxazole-5-carbonyl)hydrazino]-2-hydroxypropionic Acid

생성물 1

HCID 86705101
(R)-3-[N-(5'-Chloro-2'-fluorobiphenyl-4-ylmethyl)-N'-(3-methoxyisoxazole-5-carbonyl)hydrazino]-2-hydroxypropionic Acid 2-Morpholin-4-ylethyl Ester
수율 7.1%

실험 절차

A mixture of (R)-3-[N-(5′-chloro-2′-fluorobiphenyl-4-ylmethyl)-N′-(3-methoxyisoxazole-5-carbonyl)hydrazino]-2-hydroxypropionic acid (20.0 mg, 43 mmol), EDC (45.8 μL, 259 μmol) and HOBt hydrate (39.6 mg, 259 μmol) in DCM (0.5 mL, 8 mmol) was stirred at room temperature for 10 minutes. 4-Morpholineethanol (41.8 μL, 345 μmol) was added, and the resulting mixture was stirred at room temperature overnight. The mixture was concentrated and the residue was dissolved in AcOH (1.5 mL), filtered, and purified by reverse phase preparative HPLC to yield the title compound (14.1 mg) as a TFA salt. MS m/z [M+H]+ calc'd for C22H39ClFN4O2, 577.18. found 577.

후처리

  1. stirringthe resulting mixture was stirred at room temperature overnight
  2. concentrationThe mixture was concentrated
  3. dissolutionthe residue was dissolved in AcOH (1.5 mL)
  4. filtrationfiltered
  5. custompurified by reverse phase preparative HPLC

출처 및 근거

ORD 기록
ord-0c08c96ed4764535b5af67af8bea0255
출처 데이터셋
uspto-grants-2014_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08871792B2

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