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Dicyclohexylcarbodiimide → HCID 67607323, 화합물

HRID 1619530
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HRID 1619530 반응식
[C:1]([O:5][C:6]([NH:8][CH:9]([C:13]1[CH:18]=[CH:17][C:16]([F:19])=[CH:15][CH:14]=1)[C:10]([OH:12])=[O:11])=[O:7])([CH3:4])([CH3:3])[CH3:2].C(=NC1CCCCC1)=NC1CCCCC1.N1(O)C2C=CC=CC=2N=N1.[N:45]12[CH2:52][CH2:51][CH:48]([CH2:49][CH2:50]1)[C@@H:47](O)[CH2:46]2>C1COCC1>[C:1]([O:5][C:6]([NH:8][CH:9]([C:13]1[CH:18]=[CH:17][C:16]([F:19])=[CH:15][CH:14]=1)[C:10]([O:12][C@@H:47]1[CH:48]2[CH2:51][CH2:52][N:45]([CH2:50][CH2:49]2)[CH2:46]1)=[O:11])=[O:7])([CH3:4])([CH3:2])[CH3:3]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 10868DicyclohexylcarbodiimideHCID 757711-HydroxybenzotriazoleHCID 914043-Quinuclidinol, (-)-HCID 21901296[(Tert-butoxycarbonyl)amino](4-fluorophenyl)acetic acid

생성물 1

HCID 67607323HCID 67607323, 화합물수율 40.3%

시약·촉매·용매 1

HCID 8028
Tetrahydrofuran
용매

실험 절차

To a solution of 2-(tert-butoxycarbonylamino)-2-(4-fluorophenyl)acetic acid (I49) (725 mg, 2.69 mmol) in THF (20 ml), were added N,N′-methanediylidenedicyclohexanamine (667 mg, 3.23 mmol), 1H-benzo[d][1,2,3]triazol-1-ol (437 mg, 3.23 mmol), and (R)-quinuclidin-3-ol (411 mg, 3.23 mmol). The reaction was stirred at RT for 15 hours, and the solvent was evaporated. The residue was taken up with DCM, the insoluble solid was filtered off, and the organic solution was washed twice with aq. Na2CO3 and then brine, dried over Na2SO4 and evaporated. The crude was purified by flash chromatography (DCM/MeOH=95/5 to 93/7) to obtain (R)-quinuclidin-3-yl 2-(tert-butoxycarbonylamino)-2-(4-fluorophenyl)acetate (410 mg; 40% yield).

후처리

  1. customthe solvent was evaporated
  2. filtrationthe insoluble solid was filtered off
  3. washthe organic solution was washed twice with aq. Na2CO3
  4. dry with materialbrine, dried over Na2SO4
  5. customevaporated
  6. customThe crude was purified by flash chromatography (DCM/MeOH=95/5 to 93/7)

출처 및 근거

ORD 기록
ord-5eecaa5fdf2f4d229ba3dc6b94fa8087
출처 데이터셋
uspto-grants-2014_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08772314B2

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