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Benzyl Alcohol → N-[(1,1-dimethylethoxy)carbonyl]-3-cyclohexyl-(L)-alanine phenylmethyl ester

HRID 568115
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HRID 568115 반응식
[CH3:1][C:2]([CH3:19])([O:4][C:5]([NH:7][C@H:8]([C:16]([OH:18])=[O:17])[CH2:9][CH:10]1[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11]1)=[O:6])[CH3:3].[CH2:20](O)[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1>CN(C)C1C=CN=CC=1.CN(C)C=O.ClCCl>[C:21]1([CH2:20][O:17][C:16](=[O:18])[C@H:8]([CH2:9][CH:10]2[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11]2)[NH:7][C:5]([O:4][C:2]([CH3:19])([CH3:1])[CH3:3])=[O:6])[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1
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참가 물질

6

반응물 2

HCID 244Benzyl AlcoholHCID 10588189(2S)-2-(((tert-butoxy)carbonyl)amino)-3-cyclohexylpropanoic acid

생성물 1

HCID 53857713N-[(1,1-dimethylethoxy)carbonyl]-3-cyclohexyl-(L)-alanine phenylmethyl ester수율 103.3%

시약·촉매·용매 3

HCID 142844-(Dimethylamino)pyridine촉매HCID 6228Dimethylformamide용매
HCID 6344
Dichloromethane
용매

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온도
5 °C

실험 절차

A stirred, milky solution of 25.6 g (94.5 mmole) of N-[(1,1-dimethylethoxy)carbonyl]-3-cyclohexyl-(L)-alanine, 11.2 g (104 mmole) of benzyl alcohol, and 1.15 g (9.45 mmole) of 4-dimethylaminopyridine in a mixture of 210 mL of dimethyl formamide and 150 mL of dichloromethane is cooled to 5° C., and 19.2 g of 3-N,N-dimethylaminopropylethylcarbodiimide hydrochloride is added over 5 minutes. The mixture is then warmed to ambient temperature and is stirred overnight. The reaction mixture is filtered to remove a fine precipitate, and the filtrate is concentrated in vacuo. The residue is taken up in water and extracted with ethyl acetate (3×). The combined organic solutions are washed with 0.5N aqueous citric acid and twice with water, dried over magnesium sulfate, filtered, and concentrated in vacuo. The resulting oil is subjected to high vacuum to minimize volatiles to give N-[(1,1-dimethylethoxy)carbonyl]-3-cyclohexyl-(L)-alanine phenylmethyl ester (35.3 g). MS (ion spray) m/z 362 (M+H)+.

후처리

  1. temperatureThe mixture is then warmed to ambient temperature
  2. filtrationThe reaction mixture is filtered
  3. customto remove a fine precipitate
  4. concentrationthe filtrate is concentrated in vacuo
  5. extractionextracted with ethyl acetate (3×)
  6. washThe combined organic solutions are washed with 0.5N aqueous citric acid and twice with water
  7. dry with materialdried over magnesium sulfate
  8. filtrationfiltered
  9. concentrationconcentrated in vacuo

출처 및 근거

ORD 기록
ord-bf75c8199dd44f278b4ee0aadeda1cbf
출처 데이터셋
uspto-grants-2001_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06180759B2

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