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Diethyl Carbonate → 9-Iodo-3,4,7,8-tetrahydro-[1,4]diazepino[7,1-a]isoquinoline-2,5-dione

HRID 926243
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HRID 926243 반응식
[I:1][C:2]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:3]=1[CH2:4][CH2:5][NH:6]/[C:7]/2=[CH:12]\[C:13]([O:15]CC)=O.IC1C=CC=C2C=1[CH2:21][CH2:22][N:23]=C2C.[Li+].CC([N-]C(C)C)C.C(=O)(OCC)[O:39]CC>C1COCC1>[I:1][C:2]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:3]=1[CH2:4][CH2:5][N:6]1[C:21](=[O:39])[CH2:22][NH:23][C:13](=[O:15])[CH:12]=[C:7]12
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참가 물질

6

반응물 4

HCID 7766Diethyl CarbonateHCID 2724682Lithium diisopropylamideHCID 867113155-Iodo-1-methyl-3,4-dihydroisoquinolineHCID 86711320(Z)-ethyl 2-(5-iodo-3,4-dihydroisoquinolin-1(2H)-ylidene)acetate

생성물 1

HCID 867113799-Iodo-3,4,7,8-tetrahydro-[1,4]diazepino[7,1-a]isoquinoline-2,5-dione

시약·촉매·용매 1

HCID 8028
Tetrahydrofuran
용매
2회

반응 조건

온도
-78 °C

실험 절차

(Z)-ethyl 2-(5-iodo-3,4-dihydroisoquinolin-1(2H)-ylidene)acetate. To a yellow cooled solution of 5-iodo-1-methyl-3,4-dihydroisoquinoline (30.1 g, 111 mmol) in dry THF (900 mL) was added dropwise a solution of LDA (2M in THF, 111 mL, 222 mmol) at −78° C. The resulting brown solution was stirred for at −78° C. for 45 min and a solution of diethyl carbonate (14 mL, 116 mmol) in THF (80 mL) was then added dropwise. The mixture was stirred at −78° C. for another 45 min, and then poured onto brine. The resulting yellow suspension was filtered and the filter cake was washed with AcOEt. The filtrate was extracted with AcOEt, and the combined org. phases were dried over Na2SO4, filtered and concentrated in vacuo to give the title compound (40.0 g) as a brown oil that was used as it is in the next step. UPLC-MS: MS 344.1 (M+H+); UPLC rt 1.28 min.

후처리

  1. stirringThe mixture was stirred at −78° C. for another 45 min
  2. additionpoured onto brine
  3. filtrationThe resulting yellow suspension was filtered
  4. washthe filter cake was washed with AcOEt
  5. extractionThe filtrate was extracted with AcOEt
  6. dry with materialphases were dried over Na2SO4
  7. filtrationfiltered
  8. concentrationconcentrated in vacuo

출처 및 근거

ORD 기록
ord-79416e36ee694eff92505151ed95eb57
출처 데이터셋
uspto-grants-2016_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09284331B2

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