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Ethyl isothiocyanate → tert-Butyl (ethylcarbamothioyl)carbamate

HRID 2281857
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HRID 2281857 반응식
[C:1](=[O:8])([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])[NH2:2].[N:9]([CH2:12][CH3:13])=[C:10]=[S:11].[H-].[Na+]>CN(C=O)C>[CH2:12]([NH:9][C:10]([NH:2][C:1](=[O:8])[O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[S:11])[CH3:13]
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참가 물질

5

반응물 3

HCID 10966Ethyl isothiocyanateHCID 24758Sodium hydrideHCID 77922tert-Butyl carbamate

생성물 1

HCID 18622071tert-Butyl (ethylcarbamothioyl)carbamate수율 68.8%

시약·촉매·용매 1

HCID 6228Dimethylformamide용매2회

실험 절차

A solution of tert-butyl carbamate (5.0 g, 42.7 mmol) and isothiocyanatoethane (3.7 mL, 42.7 mmol) in dry DMF (30 mL) was added slowly to a stirred solution of sodium hydride (60% suspension, 1.9 g, 47 mmol) in dry DMF (15 mL) under nitrogen, such that the internal temperature was maintained <5° C. After complete addition the reaction was stirred in an ice bath for 1 h. The cooling bath was removed and the reaction was stirred at RT overnight, and then poured on to ice (25 g) and diluted with water (150 mL). The aqueous mixture was extracted with Et2O (3×100 mL). The combined extracts were washed with brine (1×50 mL), dried (MgSO4), filtered and evaporated. The residue was purified by column chromatography (normal phase, 100 g, Biotage SNAP cartridge KP-Sil, 50 mL per min, gradient 4% to 8% EtOAc in n-hexane) to give the title compound (6.0 g, colourless solid). 1H NMR (400 MHz, CDCl3) δ ppm 1.29 (t, J=7.33 Hz, 3H) 1.50 (s, 9H) 3.54-3.78 (m, 2H) 7.82 (br. s., 1H) 9.63 (br. s., 1H).

후처리

  1. temperaturewas maintained <5° C
  2. additionAfter complete addition the reaction
  3. customThe cooling bath was removed
  4. stirringthe reaction was stirred at RT overnight
  5. additionpoured on to ice (25 g)
  6. additiondiluted with water (150 mL)
  7. extractionThe aqueous mixture was extracted with Et2O (3×100 mL)
  8. washThe combined extracts were washed with brine (1×50 mL)
  9. dry with materialdried (MgSO4)
  10. filtrationfiltered
  11. customevaporated
  12. customThe residue was purified by column chromatography (normal phase, 100 g, Biotage SNAP cartridge KP-Sil, 50 mL per min, gradient 4% to 8% EtOAc in n-hexane)

출처 및 근거

ORD 기록
ord-65c37f2c049040ed95e990178352b755
출처 데이터셋
uspto-grants-2015_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09139594B2

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