Acetyl chloride → HCID 86705121, 화합물

HRID 541548노트

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HRID 541548 반응식
[C:1](Cl)(=[O:3])[CH3:2].[C:5]([C:8]1[CH:9]=[C:10]([C:13]([NH:15][N:16]([CH2:32][C@@H:33]([OH:37])[C:34]([OH:36])=[O:35])[CH2:17][C:18]2[CH:23]=[CH:22][C:21]([C:24]3[CH:29]=[C:28]([Cl:30])[CH:27]=[CH:26][C:25]=3[F:31])=[CH:20][CH:19]=2)=[O:14])[NH:11][N:12]=1)(=[O:7])[CH3:6].C1COCC1>>[C:1]([O:37][C@H:33]([CH2:32][N:16]([CH2:17][C:18]1[CH:23]=[CH:22][C:21]([C:24]2[CH:29]=[C:28]([Cl:30])[CH:27]=[CH:26][C:25]=2[F:31])=[CH:20][CH:19]=1)[NH:15][C:13]([C:10]1[NH:11][N:12]=[C:8]([C:5](=[O:7])[CH3:6])[CH:9]=1)=[O:14])[C:34]([OH:36])=[O:35])(=[O:3])[CH3:2]

참가 물질

4

반응물 3

HCID 6367Acetyl chlorideHCID 8028TetrahydrofuranHCID 86705116(R)-3-[N'-(5-Acetyl-2H-pyrazole-3-carbonyl)-N-(5'-chloro-2'-fluorobiphenyl-4-ylmethyl)hydrazino]-2-hydroxypropionic acid

생성물 1

HCID 86705121HCID 86705121, 화합물수율 56.1%

실험 절차

Acetyl chloride (30 μL, 421.2 μmol) and (R)-3-[N′-(5-acetyl-2H-pyrazole-3-carbonyl)-N-(5′-chloro-2′-fluorobiphenyl-4-ylmethyl)hydrazino]-2-hydroxypropionic acid (20.0 mg, 42.1 μmol) were combined in THF (205 μL, 2.5 mmol), and stirred overnight at room temperature. The solvent was evaporated and the residue was purified (reverse phase HPLC column) to yield the title compound (12.2 mg) as a TFA salt. MS m/z [M+H]+ calc'd for C24H22ClFN4O6, 517.12. found 517.2.

후처리

  1. customThe solvent was evaporated
  2. customthe residue was purified (reverse phase HPLC column)

출처 및 근거

ORD 기록
ord-891b5affcd4e45dba0f4b6e3e005e62f
출처 데이터셋
uspto-grants-2014_10
특허 번호
US08871792B2

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