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Benzoic Acid → HCID 131724566, 화합물

HRID 1837279
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HRID 1837279 반응식
[CH2:1]([C@@H:11]1[CH2:28][C:27]2[CH:26]=[C:25]([O:29][CH2:30][C:31]3[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=3)[CH:24]=[CH:23][C:22]=2[C@@H:21]2[C@@H:12]1[C@H:13]1[C@@:17]([CH2:19][C@@H:20]2[F:37])([CH3:18])[C:16](=[O:38])[CH2:15][CH2:14]1)[CH2:2][CH2:3][CH2:4][NH:5][CH2:6][CH2:7][CH2:8][CH2:9][CH3:10].[C:39]([OH:47])(=O)[C:40]1[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=1.ON1C2C=CC=CC=2N=N1.C(N=C=NC(C)C)(C)C>CN(C)C=O>[CH2:30]([O:29][C:25]1[CH:24]=[CH:23][C:22]2[C@@H:21]3[C@H:12]([C@H:13]4[C@@:17]([CH2:19][C@@H:20]3[F:37])([CH3:18])[C:16](=[O:38])[CH2:15][CH2:14]4)[C@H:11]([CH2:1][CH2:2][CH2:3][CH2:4][N:5]([CH2:6][CH2:7][CH2:8][CH2:9][CH3:10])[C:39](=[O:47])[C:40]3[CH:41]=[CH:42][CH:43]=[CH:44][CH:45]=3)[CH2:28][C:27]=2[CH:26]=1)[C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 243Benzoic AcidHCID 12734DiisopropylcarbodiimideHCID 757711-HydroxybenzotriazoleHCID 69916367HCID 69916367, 화합물

생성물 1

HCID 131724566HCID 131724566, 화합물수율 59.7%

시약·촉매·용매 1

HCID 6228
Dimethylformamide
용매

실험 절차

A solution of 275 mg of 7α-(5-azadecyl)-3-benzyloxy-11β-fluor-estra-1,3,5(10)-trien-17-one in 7.8 ml of dimethylformamide is stirred with 175 mg of benzoic acid and 250 mg of 1-hydroxybenzotriazole and 0.2 ml of N,N′-diisopropylcarbodiimide for 24 hours at room temperature. Then, the reaction mixture is added to ice water, extracted with ethyl acetate, washed with saturated sodium chloride solution, dried and concentrated by evaporation in a vacuum. After the crude product is chromatographed on silica gel with a methylene chloride-methanol gradient, 197 mg of N-[4-(3-benzyloxy-11β-fluor-estra-1,3,5(10)-trien-17-on-7α-yl)-butyl)-N-pentyl-benzamide is obtained.

후처리

  1. extractionextracted with ethyl acetate
  2. washwashed with saturated sodium chloride solution
  3. customdried
  4. concentrationconcentrated by evaporation in a vacuum
  5. customAfter the crude product is chromatographed on silica gel with a methylene chloride-methanol gradient

출처 및 근거

ORD 기록
ord-034aed33758e4d7190cca94b976c2f1e
출처 데이터셋
uspto-grants-2004_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06780855B2

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