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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Trifluoroacetic acid → HCID 86708488, 화합물

HRID 1430802
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HRID 1430802 반응식
[Cl:1][C:2]1[C:7]([N:8]2[CH2:13][CH2:12][N:11]([CH3:14])[CH2:10][CH2:9]2)=[CH:6][C:5]([C:15]#[N:16])=[CH:4][C:3]=1[NH:17]C(=O)OC(C)(C)C.C(O)(C(F)(F)F)=O>C(Cl)Cl>[NH2:17][C:3]1[CH:4]=[C:5]([CH:6]=[C:7]([N:8]2[CH2:9][CH2:10][N:11]([CH3:14])[CH2:12][CH2:13]2)[C:2]=1[Cl:1])[C:15]#[N:16]
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참가 물질

4

반응물 2

HCID 6422Trifluoroacetic acidHCID 86708489HCID 86708489, 화합물

생성물 1

HCID 86708488HCID 86708488, 화합물수율 84.9%

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

To a solution of tert-butyl 2-chloro-5-cyano-3-(4-methylpiperazin-1-yl)phenylcarbamate (135 mg, 0.385 mmol) in DCM (1.4 mL) was added TFA (0.6 mL, 3.89 mmol). The mixture was stirred at reaction mixture. The solvent was evaporated under vacuum, the residue was dissolved in EtOAc, washed with small amount of sat NaHCO3, and brine, dried over MgSO4, filtered, concentrated, and the residue was purified by ISCO (12 g, EtOAc/DCM=0-60%) to give 82 mg of 3-amino-4-chloro-5-(4-methylpiperazin-1-yl)benzonitrile

후처리

  1. customThe solvent was evaporated under vacuum
  2. dissolutionthe residue was dissolved in EtOAc
  3. washwashed with small amount of sat NaHCO3, and brine
  4. dry with materialdried over MgSO4
  5. filtrationfiltered
  6. concentrationconcentrated
  7. customthe residue was purified by ISCO (12 g, EtOAc/DCM=0-60%)

출처 및 근거

ORD 기록
ord-e788185a729a4e6fa70d344624db2164
출처 데이터셋
uspto-grants-2015_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08940736B2

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