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Ethyl Acetate → N-(N-Acetyl-tyrosinyl-valinyl-(4(R)-allyloxy prolinyl))-3(S)-amino-4-oxobutanoic acid

HRID 1741523
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HRID 1741523 반응식
Cl.CO[C:4](=[O:14])[C@@H:5]1[CH2:9][C@@H:8]([O:10][CH2:11][CH:12]=[CH2:13])[CH2:7][NH:6]1.[NH:15]([C:35]([CH3:37])=[O:36])[C@H:16]([C:25]([NH:27][C@H:28]([C:32]([OH:34])=O)[CH:29]([CH3:31])[CH3:30])=[O:26])[CH2:17][C:18]1[CH:23]=[CH:22][C:21]([OH:24])=[CH:20][CH:19]=1.C([N:41]([CH:44]([CH3:46])[CH3:45])CC)(C)C.[OH:47]N1C2C=CC=CC=2N=N1.Cl.CN(C)CCCN=C=NCC.[C:69]([O:72]CC)(=[O:71])C>ClCCl.CN(C)C=O>[C:35]([NH:15][C@H:16]([C:25]([NH:27][C@H:28]([C:32]([N:6]1[CH2:7][C@H:8]([O:10][CH2:11][CH:12]=[CH2:13])[CH2:9][C@H:5]1[C:4]([NH:41][C@H:44]([CH:45]=[O:47])[CH2:46][C:69]([OH:72])=[O:71])=[O:14])=[O:34])[CH:29]([CH3:30])[CH3:31])=[O:26])[CH2:17][C:18]1[CH:19]=[CH:20][C:21]([OH:24])=[CH:22][CH:23]=1)(=[O:36])[CH3:37]
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참가 물질

9

반응물 6

HCID 8857Ethyl AcetateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 22875497N-Acetyl-tyrosinyl-valineHCID 668534754(R)-Allyloxyproline methyl ester hydrochloride

생성물 1

HCID 59901771
N-(N-Acetyl-tyrosinyl-valinyl-(4(R)-allyloxy prolinyl))-3(S)-amino-4-oxobutanoic acid

시약·촉매·용매 2

HCID 6228Dimethylformamide용매HCID 6344Dichloromethane용매

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온도
0 °C

실험 절차

N-Acetyl-tyrosinyl-valinyl-(4(R)-allyloxyproline) methyl enter. 4(R)-Allyloxyproline methyl ester hydrochloride (1.05 g, 4.75 mmol) and N-acetyl-Tyr-Val-OH (1.68 g, 5.21 mmol) were dissolved in 10 ml of a 1:1 mixture of dichloromethane and dimethylformamide and cooled to 0° C. Diisopropylethylamine (1 ml, 5.93 mmol) was added to the cooled mixture followed by the addition of N-hydroxybenzotriazole (0.769 g, 5.69 mmol) and 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (1.18 g, 6.2 mmol). After stirring for 2 hours, the mixture was warmed to room temperature and stirred for 16 hours. The reaction was poured into 150 ml of ethyl acetate and washed with 50 ml each of water, 10% sodium hydrogen sulfate, and 10% sodium bicarbonate. The organic layer was dried over sodium sulfate, filtered, and evaporated to give a light yellow solid. This was purified by flash chromatography eluting with dichloromethane/methanol/pyridine (100:3:0.5) to give 780 mg of the title compound. 1H NMR (CD3OD) δ7.02-6.96 (2H, d), 6.67-6.63 (2H, d), 5.95-5.85 (1H, m), 5.34-5.27 (1H, d), 5.16-5.13 (1H, d), 4.53-4.38 (3H, m), 4.28-4.22 (1H, m), 4.12-3.97 (3H, m), 3.82-3.73 (1H, m), 3.72 (3H, s), 3.04-2.88 (2H, m), 2.85-2.72 (2H, m), 2.45-2.34 (1H, m), 2.08-1.95 (2H, m), 1.92 (3H, s), 1.00-0.92 (6H, 2×d).

후처리

  1. temperaturethe mixture was warmed to room temperature
  2. stirringstirred for 16 hours
  3. washwashed with 50 ml each of water, 10% sodium hydrogen sulfate, and 10% sodium bicarbonate
  4. dry with materialThe organic layer was dried over sodium sulfate
  5. filtrationfiltered
  6. customevaporated
  7. customto give a light yellow solid
  8. customThis was purified by flash chromatography
  9. washeluting with dichloromethane/methanol/pyridine (100:3:0.5)

출처 및 근거

ORD 기록
ord-c00de5611ae346f78bfcc03e4f37540b
출처 데이터셋
uspto-grants-1999_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05973111

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