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Benzyl chloroformate → benzyl N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)carbamate

HRID 1486256
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HRID 1486256 반응식
[NH2:1][CH:2]([CH2:5][C:6]([F:9])([F:8])[F:7])[CH2:3][OH:4].C(=O)([O-])[O-].[K+].[K+].Cl[C:17]([O:19][CH2:20][C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)=[O:18]>O1CCOCC1>[F:7][C:6]([F:9])([F:8])[CH2:5][CH:2]([NH:1][C:17](=[O:18])[O:19][CH2:20][C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)[CH2:3][OH:4]
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참가 물질

5

반응물 3

HCID 10387Benzyl chloroformate2회HCID 11430Potassium Carbonate2회HCID 534164332-Amino-4,4,4-trifluorobutan-1-ol

생성물 1

HCID 90136009benzyl N-(4,4,4-trifluoro-1-hydroxybutan-2-yl)carbamate

시약·촉매·용매 1

HCID 312751,4-Dioxane용매

실험 절차

400 mg of rac-2-amino-4,4,4-trifluorobutan-1-ol (Example 42A, 2.5 mmol, purity about 90%, 1 equivalent) in 36 ml of 1,4-dioxane were admixed at RT with 0.38 ml of 50% aqueous potassium carbonate solution (1.7 mmol, 0.68 equivalent) and 0.54 ml of benzyl chloroformate (3.8 mmol, 1.5 equivalents), and the mixture was stirred at RT for 2 h. Then another 0.11 ml of benzyl chloroformate (0.76 mmol, 0.3 equivalent) and 0.08 ml of 50% aqueous potassium carbonate solution (0.35 mmol, 0.14 equivalent) were added and the mixture was stirred at RT for a further 30 min. Concentration under reduced pressure was followed by purification by means of preparative HPLC (RP18 column, eluent:acetonitrile/water gradient with addition of 0.1% TFA). The resulting crude product was taken up in ethyl acetate and washed twice with saturated aqueous sodium hydrogencarbonate solution. The aqueous phase was extracted with ethyl acetate, and the combined organic phases were dried over sodium sulphate, filtered and concentrated. 490 mg (70% of theory) of the title compound were obtained.

후처리

  1. stirringthe mixture was stirred at RT for a further 30 min
  2. concentrationConcentration under reduced pressure
  3. customwas followed by purification by means of preparative HPLC (RP18 column, eluent:acetonitrile/water gradient with addition of 0.1% TFA)
  4. washwashed twice with saturated aqueous sodium hydrogencarbonate solution
  5. extractionThe aqueous phase was extracted with ethyl acetate
  6. dry with materialthe combined organic phases were dried over sodium sulphate
  7. filtrationfiltered
  8. concentrationconcentrated

출처 및 근거

ORD 기록
ord-02c1ef926dab4bcea05c3fd960cb2d06
출처 데이터셋
uspto-grants-2016_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09422285B2

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