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Hydrochloric Acid → 3-(2-Acetylsulfanyl-acetylamino)-5-chloro-4-oxo-pentanoic acid tert-butyl ester

HRID 890579
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HRID 890579 반응식
[C:1]([O:5][C:6](=[O:20])[CH2:7][CH:8]([NH:12][C:13](=[O:19])[CH2:14][S:15][C:16](=[O:18])[CH3:17])[C:9]([OH:11])=O)([CH3:4])([CH3:3])[CH3:2].CN1CCOCC1.C(O[C:33]([Cl:35])=O)C(C)C.[CH3:36][N:37]([N:44]=O)C(N[N+]([O-])=O)=N.[OH-].[K+].Cl.O1CCOCC1>O1CCCC1.C(OCC)(=O)C.C(OCC)C>[N+:37](=[CH2:36])=[N-:44].[C:1]([O:5][C:6](=[O:20])[CH2:7][CH:8]([NH:12][C:13](=[O:19])[CH2:14][S:15][C:16](=[O:18])[CH3:17])[C:9](=[O:11])[CH2:33][Cl:35])([CH3:2])([CH3:3])[CH3:4]
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참가 물질

12

반응물 7

HCID 313Hydrochloric AcidHCID 79724-MethylmorpholineHCID 14797Potassium HydroxideHCID 312751,4-DioxaneHCID 62365Isobutyl chloroformateHCID 235971832-(2-Acetylsulfanyl-acetylamino)-succinic acid 4-tert-butyl esterHCID 135436526N-Methyl-N'-nitro-N-nitrosoguanidine

생성물 2

HCID 9550DiazomethaneHCID 235972583-(2-Acetylsulfanyl-acetylamino)-5-chloro-4-oxo-pentanoic acid tert-butyl ester수율 42%

시약·촉매·용매 3

HCID 3283Diethyl Ether용매HCID 8028Tetrahydrofuran용매HCID 8857Ethyl Acetate용매

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온도
0 °C

실험 절차

The free acid 24 was dissolved in 10 ml of dry tetrahydrofuran (THF), cooled to 0° C., and treated with 0.58 ml N-methyl-morpholine (5.3 mmol) and 0.69 ml of isobutylchloroformate. Dense white precipitate immediately formed, and after 30 minutes the reaction was filtered through a glass frit and transferred to a new flask with an additional 10 ml of THF. Meanwhile, diazomethane was prepared by reacting 1-methyl-3-nitro-1-nitrosoguanidine (2.3 g, 15.6 mmol) with 7.4 ml of 40% aqueous KOH and 25 ml diethyl ether for 45 minutes at 0° C. The yellow ether layer was then decanted into the reaction containing the mixed anhydride, and the reaction allowed to proceed while slowly warming to ambient temperature over a period of 165 minutes. The reaction was cooled to 8° C., and 1.5 ml of 4 N HCl in dioxane (6 mmol total) was added dropwise. This resulted in much bubbling, and the yellow solution became colorless. The reaction was allowed to proceed for two hours while gradually warming to ambient temperature and then quenched with 1 ml of glacial acetic acid. The solvent was removed under reduced pressure and the residue redissolved in 75 ml ethyl acetate, rinsed with 2×50 ml saturated sodium bicarbonate, 50 ml 5 M NaCl, dried over sodium sulfate, filtered, and evaporated to dryness before purification by flash chromatography using 90:10 chloroform:ethyl acetate to yield 0.747 g of 25 as a light yellow oil (2.2 mmol, 42% from 23). Expected MW=337.7, found 338 (M+1).

후처리

  1. customDense white precipitate immediately formed
  2. filtrationafter 30 minutes the reaction was filtered through a glass frit
  3. customtransferred to a new flask with an additional 10 ml of THF
  4. customfor 45 minutes
  5. customat 0° C
  6. customThe yellow ether layer was then decanted into the reaction
  7. additioncontaining the mixed anhydride
  8. temperaturewhile slowly warming to ambient temperature over a period of 165 minutes
  9. temperatureThe reaction was cooled to 8° C.
  10. customThis resulted in much bubbling
  11. temperaturewhile gradually warming to ambient temperature
  12. customquenched with 1 ml of glacial acetic acid
  13. customThe solvent was removed under reduced pressure
  14. dissolutionthe residue redissolved in 75 ml ethyl acetate
  15. washrinsed with 2×50 ml saturated sodium bicarbonate, 50 ml 5 M NaCl
  16. dry with materialdried over sodium sulfate
  17. filtrationfiltered
  18. customevaporated to dryness before purification by flash chromatography

출처 및 근거

ORD 기록
ord-f6477ce146f2456481f1ed2e45ecc3c7
출처 데이터셋
uspto-grants-2006_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06998233B2

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