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Methyl cyanoacetate → Methyl 1-cyanocyclobutane-1-carboxylate

HRID 330713
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HRID 330713 반응식
[C:1]([CH2:3][C:4]([O:6][CH3:7])=[O:5])#[N:2].N12CCCN=C1CC[CH2:11][CH2:10][CH2:9]2.BrCCCBr>CN(C)C=O>[CH3:7][O:6][C:4]([C:3]1([C:1]#[N:2])[CH2:11][CH2:10][CH2:9]1)=[O:5]
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참가 물질

5

반응물 3

HCID 7747Methyl cyanoacetateHCID 80011,3-DibromopropaneHCID 811841,8-Diazabicyclo(5.4.0)undec-7-ene

생성물 1

HCID 25918826Methyl 1-cyanocyclobutane-1-carboxylate

시약·촉매·용매 1

HCID 6228Dimethylformamide용매2회

반응 조건

온도
-7.5 °C

실험 절차

To methyl cyanoacetate (10 g, 0.1 mol) under N2, N,N-dimethylformamide (DMF, 10 mL) was added at room temperature. After 10 min, the solution was added 1,8-diazabicyclo [5,4,0]undec-7-ene (DBU, 33.4 g, 0.22 mol) at 10-20° C., and then reacted 15 min at 50° C. The mixture was cooled to −5 to −10° C., 1,3-dibromopropane (20.4 g, 0.1 mol) in DMF (10 mL) added by syringe, reacted 15 min at room temperature, rose up to 70° C., and then reacted 30 min. The mixture was evaporated and the residue taken up in H2O and extracted with CHCl3 (3×50 mL). The chloroform phase was evaporated under reduced pressure. The compound 1 was purified by column chromatography (SiO2, hexane/acetone 8:1), yielding 8.74 g (62.81%). MS (ESI): m/z: 140.08 [M+H]+. Anal. Calcd (Found) for C7H9NO2: C, 60.42 (60.74); H, 6.52 (6.58); N, 10.07 (10.21). 1H NMR (D2O, 400 MHz), δ ((ppm): 3.84 (s, 3H, —OCH3), 2.73-2.63 (m, 4H, —C—CH2—CH2—CH2—), 2.17-2.32 (m, 2H, —C—CH2—CH2—CH2—). 13C NMR (D2O, 400 MHz), δ (ppm): 169.17, 128.11, 53.50, 39.38, 31.22, 17.18.

후처리

  1. customreacted 15 min at 50° C
  2. customreacted 15 min at room temperature
  3. customrose up to 70° C.
  4. customreacted 30 min
  5. customThe mixture was evaporated
  6. extractionextracted with CHCl3 (3×50 mL)
  7. customThe chloroform phase was evaporated under reduced pressure
  8. customThe compound 1 was purified by column chromatography (SiO2, hexane/acetone 8:1)
  9. customyielding 8.74 g (62.81%)

출처 및 근거

ORD 기록
ord-83b7d456cab04b48b3d83f53d24adae2
출처 데이터셋
uspto-grants-2014_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08877163B2

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