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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Trifluoroacetic acid → HCID 178509349, 화합물

HRID 1920863
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HRID 1920863 반응식
[C:1]([C:3]1([C:6]2[CH:7]=[C:8]([CH2:44][CH2:45][CH2:46][NH:47]C(=O)OC(C)(C)C)[CH:9]=[C:10]([C:12]3[CH:17]=[CH:16][N:15]=[C:14]4[N:18](C(C5C=CC=CC=5)(C5C=CC=CC=5)C5C=CC=CC=5)[N:19]=[C:20]([C:21]([F:24])([F:23])[F:22])[C:13]=34)[CH:11]=2)[CH2:5][CH2:4]1)#[N:2].C([SiH](CC)CC)C.C(O)(C(F)(F)F)=O>C(Cl)Cl>[NH2:47][CH2:46][CH2:45][CH2:44][C:8]1[CH:7]=[C:6]([C:3]2([C:1]#[N:2])[CH2:5][CH2:4]2)[CH:11]=[C:10]([C:12]2[CH:17]=[CH:16][N:15]=[C:14]3[NH:18][N:19]=[C:20]([C:21]([F:23])([F:24])[F:22])[C:13]=23)[CH:9]=1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 6422Trifluoroacetic acidHCID 12052TriethylsilaneHCID 67492607HCID 67492607, 화합물

생성물 1

HCID 178509349HCID 178509349, 화합물수율 57.7%

시약·촉매·용매 1

HCID 6344Dichloromethane용매

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온도
0 °C

실험 절차

tert-Butyl 3-(3-(1-cyanocyclopropyl)-5-(3-(trifluoromethyl)-1-trityl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl)propylcarbamate (72 mg, 0.09893 mmol) was dissolved in DCM (3 mL) and cooled to 0° C. Triethylsilane (46.01 mg, 63.20 μL, 0.3957 mmol) was added followed by TFA (0.5 mL). The reaction was stirred at 0° C. for 1 hour then the solvent removed under reduced pressure. The crude product was dissolved in DMSO and purified by FractionLynx. The fractions were passed through bicarbonate cartridges to obtain free base and lyophilised to give 1-(3-(3-aminopropyl)-5-(3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl)cyclopropanecarbonitrile as a white solid (22 mg, 57%).

후처리

  1. customthe solvent removed under reduced pressure
  2. dissolutionThe crude product was dissolved in DMSO
  3. custompurified by FractionLynx
  4. customto obtain free base

출처 및 근거

ORD 기록
ord-c3f9849284be498f8eb8b2fc25bf64ea
출처 데이터셋
uspto-grants-2012_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08173635B2

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