Acetic Acid → HCID 69284981, 화합물

HRID 2201131노트

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HRID 2201131 반응식
[C:1]([C:3]1[C:8]([NH:9][C:10]2[S:14][N:13]=[C:12]([CH3:15])[CH:11]=2)=[CH:7][C:6]([NH:16][C@H:17]([CH2:21][C:22]2[CH:27]=[CH:26][C:25]([C:28]3[CH:33]=[CH:32][N:31]=[CH:30][CH:29]=3)=[CH:24][CH:23]=2)[C:18]([NH2:20])=[O:19])=[C:5]([F:34])[CH:4]=1)#[N:2].[OH-].[Na+].OO.CC(O)=[O:41]>CCO.CS(C)=O>[NH2:20][C:18](=[O:19])[C@H:17]([NH:16][C:6]1[C:5]([F:34])=[CH:4][C:3]([C:1]([NH2:2])=[O:41])=[C:8]([NH:9][C:10]2[S:14][N:13]=[C:12]([CH3:15])[CH:11]=2)[CH:7]=1)[CH2:21][C:22]1[CH:27]=[CH:26][C:25]([C:28]2[CH:29]=[CH:30][N:31]=[CH:32][CH:33]=2)=[CH:24][CH:23]=1

참가 물질

7

반응물 4

HCID 176Acetic AcidHCID 784Hydrogen PeroxideHCID 14798Sodium HydroxideHCID 67509932HCID 67509932, 화합물

생성물 1

HCID 69284981HCID 69284981, 화합물

시약·촉매·용매 2

HCID 679Dimethyl Sulfoxide용매HCID 702Ethanol용매

실험 절차

To a solution of (R)-2-(4-cyano-2-fluoro-5-(3-methylisothiazol-5-ylamino)phenylamino)-3-(4-(pyridin-4-yl)phenyl)propanamide (12 mg, 0.025 mmol) in EtOH (1 mL) and DMSO (0.5 mL), aq. 1N NaOH (0.5 mL, 0.50 mmol) and aq. H2O2 (50%, 0.5 mL) were added. The mixture was stirred at room temperature for 30 min. HOAc (0.5 mL) was added. The mixture was purified by HPLC to give the titled compound (6 mg). MS 491.1 (M+H); UV 216.8, 278.0, 312.5 nm.

후처리

  1. customThe mixture was purified by HPLC

출처 및 근거

ORD 기록
ord-4fd6cbb186524a6cb1eeb454e5feec1a
출처 데이터셋
uspto-grants-2016_06
특허 번호
US09359375B2

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