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1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide → HCID 67483251, 화합물

HRID 1884272
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HRID 1884272 반응식
[C:1]([C:5]1[CH:10]=[CH:9][C:8]([C:11](=[O:36])[CH2:12][CH:13]([C:25]2[CH:30]=[CH:29][C:28]([O:31][C:32]([F:35])([F:34])[F:33])=[CH:27][CH:26]=2)[C:14]([C:16]2[CH:24]=[CH:23][C:19]([C:20](O)=[O:21])=[CH:18][CH:17]=2)=[O:15])=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2].CCN=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1.Cl.[CH3:59][O:60][C:61](=[O:65])[CH2:62][CH2:63][NH2:64].CCN(C(C)C)C(C)C>CN(C=O)C>[CH3:59][O:60][C:61](=[O:65])[CH2:62][CH2:63][NH:64][C:20](=[O:21])[C:19]1[CH:23]=[CH:24][C:16]([C:14](=[O:15])[CH:13]([C:25]2[CH:26]=[CH:27][C:28]([O:31][C:32]([F:33])([F:35])[F:34])=[CH:29][CH:30]=2)[CH2:12][C:11]([C:8]2[CH:9]=[CH:10][C:5]([C:1]([CH3:4])([CH3:3])[CH3:2])=[CH:6][CH:7]=2)=[O:36])=[CH:17][CH:18]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 5

HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 2734767Methyl 3-aminopropanoate hydrochlorideHCID 23508809HCID 23508809, 화합물

생성물 1

HCID 67483251HCID 67483251, 화합물수율 104.8%

시약·촉매·용매 1

HCID 6228Dimethylformamide용매2회

실험 절차

4-[4-(4-tert-Butylphenyl)-4-oxo-2-(4-trifluoromethoxyphenyl)butyryl]benzoic acid (10.4 g, 20.86 mmol) was dissolved in DMF (150 mL) and added EDAC (5.60 g, 29.20) and HOBt (4.23 g, 31.29 mmol). After ½ h a solution of beta-alanine methyl ester hydrochloride (4.37 g, 31.29 mmol) and DIPEA (5.36 mL, 31.29 mmol) in DMF (20 mL) was added to the above mixture and the reaction mixture was stirred night over. The reaction was concentrated to approximately 100 mL and diluted with water (200 mL) and extracted with ethyl acetate (200 mL). The water phase was extracted with additional ethyl acetate (75 mL). The combined organic phases were washed with hydrochloric acid (0.2 N, 3×150 mL), aqueous sodium chloride (50% saturation, 3×150 mL) and dried over magnesium sulphate. The dried organic phase was filtered and evaporated to dryness to afford 3-{4-[4-(4-tert-butylphenyl)-4-oxo-2-(4-trifluoromethoxyphenyl)butyryl]benzoylamino}propionic acid methyl ester (12.76 g).

후처리

  1. concentrationThe reaction was concentrated to approximately 100 mL
  2. additiondiluted with water (200 mL)
  3. extractionextracted with ethyl acetate (200 mL)
  4. extractionThe water phase was extracted with additional ethyl acetate (75 mL)
  5. washThe combined organic phases were washed with hydrochloric acid (0.2 N, 3×150 mL), aqueous sodium chloride (50% saturation, 3×150 mL)
  6. dry with materialdried over magnesium sulphate
  7. filtrationThe dried organic phase was filtered
  8. customevaporated to dryness

출처 및 근거

ORD 기록
ord-882567ca56c64f69bfb9b8373d25af9f
출처 데이터셋
uspto-grants-2004_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06762318B2

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