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Benzofuran-2-carboxylic acid → HCID 68999612, 화합물

HRID 229837
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HRID 229837 반응식
CN(C)CCCN=C=NCC.[O:12]1[C:16]2[CH:17]=[CH:18][CH:19]=[CH:20][C:15]=2[CH:14]=[C:13]1[C:21]([OH:23])=O.[CH3:24][O:25][C:26](=[O:53])[C@@H:27]([NH:32][C:33]([N:35]1[CH2:41][CH:40]([OH:42])[C@@H:39]([NH:43][C:44](=[O:51])[C@@H:45]([NH2:50])[CH2:46][CH:47]([CH3:49])[CH3:48])[CH2:38][CH2:37][C@H:36]1[CH3:52])=[O:34])[CH2:28][CH:29]([CH3:31])[CH3:30].C(N(C(C)C)CC)(C)C.OC1C2N=NNC=2C=CC=1>CN(C=O)C.CCOC(C)=O>[CH3:24][O:25][C:26](=[O:53])[C@@H:27]([NH:32][C:33]([N:35]1[CH2:41][C@H:40]([OH:42])[C@@H:39]([NH:43][C:44](=[O:51])[C@@H:45]([NH:50][C:21]([C:13]2[O:12][C:16]3[CH:17]=[CH:18][CH:19]=[CH:20][C:15]=3[CH:14]=2)=[O:23])[CH2:46][CH:47]([CH3:48])[CH3:49])[CH2:38][CH2:37][C@H:36]1[CH3:52])=[O:34])[CH2:28][CH:29]([CH3:31])[CH3:30]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 5

HCID 10331Benzofuran-2-carboxylic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 69001190HCID 69001190, 화합물HCID 178418300HCID 178418300, 화합물

생성물 1

HCID 68999612HCID 68999612, 화합물수율 89.7%

시약·촉매·용매 2

HCID 6228Dimethylformamide용매HCID 8857Ethyl Acetate용매

실험 절차

1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide (214 g, 1.12 mmol) was added to a solution of benzofuran-2-carboxylic acid (166 g, 1.02 mmol), (S)-2-({1-[(2R,5S)-5-((S)-2-Amino-4-methyl-pentanoylamino)-2-methyl-6-hydroxy-azepan-1-yl]-methanoyl}-amino)-4-methyl-pentanoic acid methyl ester (430 mg, 0.93 mmol), diisopropylethylamine (240 mg, 0.32 ml, 1.86 mmol), hydroxybenztriazole (151 mg, 1.12 mmol) in DMF (5 ml) and was stirred at RT overnight. The reaction mixture was stirred overnight. The reaction mixture was diluted with EtOAc (30 ml), washed with cold aq. 1N HCl, aq. sat. NaHCO3, and brine, and then dried with magnesium sulfate, filtered, concentrated in vacuo by rotary evaporation, and chromatographed (silica gel, 2% to 3% MeOH/CH2Cl2) to yield the title compound (478 mg, 84% for two steps): electrospray MS: 572.4

후처리

  1. stirringThe reaction mixture was stirred overnight
  2. washwashed with cold aq. 1N HCl, aq. sat. NaHCO3, and brine
  3. dry with materialdried with magnesium sulfate
  4. filtrationfiltered
  5. concentrationconcentrated in vacuo by rotary evaporation
  6. customchromatographed (silica gel, 2% to 3% MeOH/CH2Cl2)

출처 및 근거

ORD 기록
ord-c5be68bfaee841819e03f549a7faeedd
출처 데이터셋
uspto-grants-2009_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07563784B2

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