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1-Phenethylamine → (R)-N2-[(1,1-Dimethylethoxy)carbonyl]-N-(1-methyl-2-phenylethyl)-L-allothreoninamide

HRID 864097
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HRID 864097 반응식
[C:1]([NH:8][C@H:9]([C:13]([OH:15])=O)[C@H:10]([CH3:12])[OH:11])([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2].O.ON1[C:22]2[CH:23]=[CH:24][CH:25]=[CH:26][C:21]=2N=N1.Cl.CN(C)CCCCCN=C=N.[CH3:39][CH:40]([NH2:47])[C:41]1C=CC=CC=1.CN1CCOCC1.[Cl-].[Na+].O.O>CN(C)C=O>[CH3:7][C:4]([CH3:5])([O:3][C:1]([NH:8][C@@H:9]([C:13]([NH:47][CH:40]([CH3:41])[CH2:39][C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)=[O:15])[C@H:10]([CH3:12])[OH:11])=[O:2])[CH3:6]
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참가 물질

8

반응물 6

HCID 74081-PhenethylamineHCID 79724-MethylmorpholineHCID 27960291-Hydroxybenzotriazole hydrateHCID 6992538(2S,3S)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoic acidHCID 23713072Sodium chloride dihydrateHCID 574828161-(3-Dimethylaminopropyl)-2-ethylcarbodiimide hydrochloride

생성물 1

HCID 86749880
(R)-N2-[(1,1-Dimethylethoxy)carbonyl]-N-(1-methyl-2-phenylethyl)-L-allothreoninamide
수율 93.9%

시약·촉매·용매 1

HCID 6228Dimethylformamide용매2회

실험 절차

To a solution of N-Boc-L-allothreonine (0.325 g, 1.48 mmol, 1.00 eq.) and 1-hydroxybenzotriazole hydrate (0.221 g, 1.64 mmol, 1.11 eq.) in dimethylformamide (5 mL) at 0° C. was added 1-(3-dimethylaminopropyl)-2-ethylcarbodiimide hydrochloride (WSC) (0.312 g, 1.63 mmol, 1.10 eq.). After 0.5 hr, a solution of (R) α-methylbenzylamine (0.20 mL, 1.55 mmol, 1.05 eq.) in dimethylformamide (3 mL) was added, followed by 4-methylmorpholine (0.16 mL, 1.46 mmol, 0.98 eq.). After 17 hr, the reaction mixture was poured into a brine/water solution (1:1) and extracted twice with ethyl acetate. The organic layers were combined and washed with aqueous 0.25M potassium hydrogen sulfate, water, aqueous saturated sodium bicarbonate, water, dried over sodium sulfate, and the organic layer concentrated in vacuo to give title compound (0.448 g, 93.9%):

후처리

  1. waitAfter 17 hr
  2. extractionextracted twice with ethyl acetate
  3. washwashed with aqueous 0.25M potassium hydrogen sulfate, water, aqueous saturated sodium bicarbonate, water
  4. dry with materialdried over sodium sulfate
  5. concentrationthe organic layer concentrated in vacuo

출처 및 근거

ORD 기록
ord-2e881179245d4df1b236c32befc74f36
출처 데이터셋
uspto-grants-1996_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05561146

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