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2,4,6-Tris((dimethylamino)methyl)phenol → N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2,4,6-trifluorobenzoyl)-1-H-pyrrole-2-carboxamide

HRID 1894716
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HRID 1894716 반응식
CN(CC1C=C(CN(C)C)C(O)=C(CN(C)C)C=1)C.[F:20][C:21]1[CH:36]=[C:35]([F:37])[CH:34]=[C:33]([F:38])[C:22]=1[C:23]([C:25]1[CH:26]=[C:27]([C:30]([OH:32])=O)[NH:28][CH:29]=1)=[O:24].O.ON1C2C=CC=CC=2N=N1.Cl.CN(C)CCCN=C=NCC.Cl.[CH3:63][C:64]1[S:68][C:67]([CH2:69][NH2:70])=[N:66][N:65]=1.C(N(C(C)C)CC)(C)C>>[CH3:63][C:64]1[S:68][C:67]([CH2:69][NH:70][C:30]([C:27]2[NH:28][CH:29]=[C:25]([C:23](=[O:24])[C:22]3[C:33]([F:38])=[CH:34][C:35]([F:37])=[CH:36][C:21]=3[F:20])[CH:26]=2)=[O:32])=[N:66][N:65]=1
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참가 물질

7

반응물 6

HCID 70262,4,6-Tris((dimethylamino)methyl)phenolHCID 81531DiisopropylethylamineHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 27960291-Hydroxybenzotriazole hydrateHCID 11615231(5-Methyl-1,3,4-thiadiazol-2-yl)methanamine hydrochlorideHCID 534025784-(2,4,6-Trifluorobenzoyl)-1H-pyrrole-2-carboxylic acid
2회

생성물 1

HCID 49784129N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2,4,6-trifluorobenzoyl)-1-H-pyrrole-2-carboxamide수율 69.3%

실험 절차

To a DMF 3 mL solution of 4-(2,4,6-trifluorobenzoyl)-1-H-pyrrole-2-carboxylic acid (Intermediate 1) (30 mg, 0.11 mmol), 1-hydroxybenzotriazole hydrate (HOBT) (22 mg, 0.15 mmol) was added N-(3-dimethylaminopropyl)-N′-ethylcarbodiimide-hydrochloride (EDC-hydrochloride)(28 mg, 0.15 mmol). The reaction was stirred for 45 min before 1-(5-methyl-1,3,4-thiadiazol-2-yl)methanamine hydrochloride (19 mg, 0.17 mmol) and diisopropylethylamine (0.1 mL, 0.55 mmol) were added. The reaction mixture was stirred at rt overnight, concentrated and chromatographed on silica gel eluting with AcOEt to give the title compound 29 mg.

후처리

  1. additionwere added
  2. concentrationconcentrated
  3. customchromatographed on silica gel eluting with AcOEt

출처 및 근거

ORD 기록
ord-2253231ca8d441b7b415a3fdee4b5f1b
출처 데이터셋
uspto-grants-2013_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08513289B2

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