tert-butyl (1S,2R)-2-(4-cyano-2-fluoro-5-(3-phenylisoxazol-5-ylamino)phenylamino)cyclohexylcarbamate → 4-((1R,2S)-2-aminocyclohexylamino)-5-fluoro-2-(3-phenylisoxazol-5-ylamino)benzonitrile

HRID 2201092

반응식

HRID 2201092 반응식
[C:1]([C:3]1[C:8]([NH:9][C:10]2[O:14][N:13]=[C:12]([C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=3)[CH:11]=2)=[CH:7][C:6]([NH:21][C@@H:22]2[CH2:27][CH2:26][CH2:25][CH2:24][C@@H:23]2[NH:28]C(=O)OC(C)(C)C)=[C:5]([F:36])[CH:4]=1)#[N:2]>C(O)(C(F)(F)F)=O>[NH2:28][C@H:23]1[CH2:24][CH2:25][CH2:26][CH2:27][C@H:22]1[NH:21][C:6]1[C:5]([F:36])=[CH:4][C:3]([C:1]#[N:2])=[C:8]([NH:9][C:10]2[O:14][N:13]=[C:12]([C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=3)[CH:11]=2)[CH:7]=1

참가 물질

3

반응물 1

HCID 86666162tert-butyl (1S,2R)-2-(4-cyano-2-fluoro-5-(3-phenylisoxazol-5-ylamino)phenylamino)cyclohexylcarbamate

생성물 1

HCID 677764004-((1R,2S)-2-aminocyclohexylamino)-5-fluoro-2-(3-phenylisoxazol-5-ylamino)benzonitrile수율 160.8%

시약·촉매·용매 1

HCID 6422Trifluoroacetic acid용매

실험 절차

The compound tert-butyl (1S,2R)-2-(4-cyano-2-fluoro-5-(3-phenylisoxazol-5-ylamino)phenylamino)cyclohexylcarbamate (40 mg, 0.081 mmol) was dissolved in TFA (1.0 mL). After 20 min, TFA was removed in vacuo to give 4-((1R,2S)-2-aminocyclohexylamino)-5-fluoro-2-(3-phenylisoxazol-5-ylamino)benzonitrile (51 mg).

후처리

  1. customTFA was removed in vacuo

출처 및 근거

ORD 기록
ord-1980115e33e644e682a60ddc20a67daf
출처 데이터셋
uspto-grants-2016_06
특허 번호
US09359375B2

연결된 노트

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