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Hexamethylphosphoramide → Tert-butyl4-(3-methyl-2-(phenylcarbamoyl)phenyl)-3-oxobutan-2-ylcarbamate

HRID 1046761
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HRID 1046761 반응식
CC1C=CC=C(C)C=1C(NC1C=CC=CC=1C)=O.CN(P(N(C)C)(N(C)C)=O)C.C([Li])CCC.C(OC(N[C@@H](C)C(OC)=O)=O)(C)(C)C.[C:49]([O:53][C:54](=[O:77])[NH:55][CH:56]([C:58](=[O:76])[CH2:59][C:60]1[CH:65]=[CH:64][CH:63]=[C:62]([CH3:66])[C:61]=1[C:67](=[O:75])[NH:68][C:69]1[CH:74]=[CH:73][CH:72]=[CH:71][CH:70]=1)[CH3:57])([CH3:52])([CH3:51])[CH3:50]>C1COCC1.C(OCC)(=O)C>[NH2:55][C@H:56]([C:58]1[N:68]([C:69]2[CH:74]=[CH:73][CH:72]=[CH:71][CH:70]=2)[C:67](=[O:75])[C:61]2[C:60]([CH:59]=1)=[CH:65][CH:64]=[CH:63][C:62]=2[CH3:66])[CH3:57].[C:49]([O:53][C:54](=[O:77])[NH:55][CH:56]([C:58](=[O:76])[CH2:59][C:60]1[CH:65]=[CH:64][CH:63]=[C:62]([CH3:66])[C:61]=1[C:67](=[O:75])[NH:68][C:69]1[CH:74]=[CH:73][CH:72]=[CH:71][CH:70]=1)[CH3:57])([CH3:50])([CH3:51])[CH3:52]
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참가 물질

9

반응물 5

HCID 12679HexamethylphosphoramideHCID 10856577Boc-L-alanine methyl ester2회HCID 58008575Tert-butyl4-(3-methyl-2-(phenylcarbamoyl)phenyl)-3-oxobutan-2-ylcarbamateHCID 580088092,6-dimethyl-N-o-tolylbenzamide2회HCID 178418339Butyllithium

생성물 2

HCID 58008575
Tert-butyl4-(3-methyl-2-(phenylcarbamoyl)phenyl)-3-oxobutan-2-ylcarbamate
수율 9%
HCID 58008747(S)-3-(1-aminoethyl)-8-methyl-2-phenylisoquinolin-1(2H)-one

시약·촉매·용매 2

HCID 8028Tetrahydrofuran용매HCID 8857Ethyl Acetate용매

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온도
-78 °C

실험 절차

To a stirred solution of 2,6-dimethyl-N-phenylbenzamide (compound 4403), which may be synthesized as described in Example 9) (30 g, 0.13 mol, 1 eq) and HMPA (26 g, 0.16 mol, 1.2 eq) in anhydrous THF (300 mL) at −78° C. under an argon atmosphere, n-butyllithium (100 mL, 2.5 M, 0.25 mol, 2.5 eq) was added carefully over 1 h and the reaction temperature was kept below −60° C. during addition. The resulting mixture was stirred at −78° C. for 1 h, and then (S)-methyl 2-(tert-butoxycarbonylamino)-propanoate (compound 4803) (35 g, 0.173 mol, 1.3 eq) was quickly added (the reaction temperature rose to −50° C. during addition). The mixture was stirred at −50° C. for 10 min, quenched with water (300 mL) and extracted with ethyl acetate (2×100 mL). The organic layer was washed with water (500 mL×2), dried over anhydrous MgSO4 and filtered. The filtrate was concentrated in vacuo to afford the crude product as a semi-solid oil. The crude product was slurried in ethyl acetate (500 mL) and stirred for 10 min. The solid was removed by filtration, and the filtrate was concentrated in vacuo. The oil residue was stirred in a mixture of ethyl acetate (30 mL) and isopropyl alcohol (200 mL) at room temperature for 10 min. The solid was collected by filtration and further dried in vacuo to afford the desired product, tert-butyl4-(3-methyl-2-(phenylcarbamoyl)phenyl)-3-oxobutan-2-ylcarbamate (compound 4703) (4.61 g, 9% yield) as a white solid.

후처리

  1. customat −78° C.
  2. additionthe reaction temperature was kept below −60° C. during addition
  3. additionrose to −50° C. during addition)
  4. stirringThe mixture was stirred at −50° C. for 10 min
  5. customquenched with water (300 mL)
  6. extractionextracted with ethyl acetate (2×100 mL)
  7. washThe organic layer was washed with water (500 mL×2)
  8. dry with materialdried over anhydrous MgSO4
  9. filtrationfiltered
  10. concentrationThe filtrate was concentrated in vacuo
  11. customto afford the crude product as a semi-solid oil
  12. stirringstirred for 10 min
  13. customThe solid was removed by filtration
  14. concentrationthe filtrate was concentrated in vacuo
  15. stirringThe oil residue was stirred in a mixture of ethyl acetate (30 mL) and isopropyl alcohol (200 mL) at room temperature for 10 min
  16. filtrationThe solid was collected by filtration
  17. customfurther dried in vacuo

출처 및 근거

ORD 기록
ord-890713d840ec4f5b9c8de254610a632e
출처 데이터셋
uspto-grants-2013_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08569323B2

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