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Trifluoroacetic acid → HCID 67279381, 화합물

HRID 1046949
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HRID 1046949 반응식
C(O[C:6]([NH:8][NH:9][C:10](=[S:19])[C:11]1[CH:16]=[CH:15][C:14]([F:17])=[C:13]([F:18])[CH:12]=1)=[O:7])(C)(C)C.C(OC(NNC(=O)C1C=CC(F)=CC=1)=O)(C)(C)C.C(O)(C(F)(F)F)=O.CCN(C(C)C)C(C)C.[CH3:54][O:55][C:56](=[O:74])[C:57]1[CH:62]=[CH:61][CH:60]=[C:59]([C:63]2[O:64][C:65]3[CH:71]=[CH:70][CH:69]=[C:68]([CH:72]=O)[C:66]=3[N:67]=2)[CH:58]=1.[F:75][C:76]1[CH:84]=[C:83]([F:85])[CH:82]=[C:81]([F:86])[C:77]=1C(Cl)=O>C(Cl)Cl>[CH3:54][O:55][C:56](=[O:74])[C:57]1[CH:62]=[CH:61][CH:60]=[C:59]([C:63]2[O:64][C:65]3[CH:71]=[CH:70][CH:69]=[C:68]([CH:72]4[N:8]([C:6](=[O:7])[C:77]5[C:76]([F:75])=[CH:84][C:83]([F:85])=[CH:82][C:81]=5[F:86])[N:9]=[C:10]([C:11]5[CH:16]=[CH:15][C:14]([F:17])=[C:13]([F:18])[CH:12]=5)[S:19]4)[C:66]=3[N:67]=2)[CH:58]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 6

HCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 1448952,4,6-Trifluorobenzoyl chlorideHCID 67279032tert-Butyl 2-(4-fluorobenzoyl)hydrazine-1-carboxylateHCID 860661063-(4-Formyl-benzooxazol-2-yl)-benzoic acid methyl esterHCID 86637600HCID 86637600, 화합물

생성물 1

HCID 67279381
HCID 67279381, 화합물

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

N′-(3,4-Difluoro-thiobenzoyl)-hydrazinecarboxylic acid tert-butyl ester (0.1 mmol) prepared as described in example 3 for N′-(4-fluoro-benzoyl)-hydrazinecarboxylic acid tert-butyl ester, is treated with TFA (1 mmol) in dry CH2Cl2 (1 mL) at room temperature for 30 minutes. Solvent is removed and the residue is dissolved in dry CH2Cl2 (1 mL). DIEA (0.57 mmol) is added to the solution and the mixture is treated with 3-(4-formyl-benzooxazol-2-yl)-benzoic acid methyl ester (0.064 mmol) in the presence of 4 Å molecular sieves. 2,4,6-Trifluorobenzoyl chloride (0.15 mmol) is added after 5 minutes. The mixture is kept at room temperature for 16 hours and purified by preparative HPLC (20-100% MeCN/H2O) to yield 3-{4-[5-(3,4-difluoro-phenyl)-3-(2,4,6-trifluoro-benzoyl)-2,3-dihydro-[1,3,4]thiadiazol-2-yl]-benzooxazol-2-yl}-benzoic acid methyl ester. LC/MS (ES+): (M+1) 610.0, (M+Na) 632.0.

후처리

  1. customSolvent is removed
  2. dissolutionthe residue is dissolved in dry CH2Cl2 (1 mL)
  3. custompurified by preparative HPLC (20-100% MeCN/H2O)

출처 및 근거

ORD 기록
ord-c8b3736c106640eca8f3a2eb415c1839
출처 데이터셋
uspto-grants-2013_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08569345B2

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