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Sodium Bicarbonate → N-(3-{6-methyl-3-[3-(3-methyl-2-thienyl)propanoyl]-3-azabicyclo[3.1.0]hex-6-yl}phenyl)methanesulfonamide

HRID 428985
ノート
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反応式

HRID 428985 の反応式
[CH3:1][C:2]1[CH:6]=[CH:5][S:4][C:3]=1[CH2:7][CH2:8][C:9]([OH:11])=O.O.ON1C2C=CC=CC=2N=N1.[CH3:23][C:24]1([C:30]2[CH:31]=[C:32]([NH:36][S:37]([CH3:40])(=[O:39])=[O:38])[CH:33]=[CH:34][CH:35]=2)[CH:29]2[CH:25]1[CH2:26][NH:27][CH2:28]2.C(=O)([O-])O.[Na+]>>[CH3:23][C:24]1([C:30]2[CH:31]=[C:32]([NH:36][S:37]([CH3:40])(=[O:39])=[O:38])[CH:33]=[CH:34][CH:35]=2)[CH:29]2[CH:25]1[CH2:26][N:27]([C:9](=[O:11])[CH2:8][CH2:7][C:3]1[S:4][CH:5]=[CH:6][C:2]=1[CH3:1])[CH2:28]2
参加物実験手順後処理出典と根拠反応ノート

参加物

5

反応物 4

HCID 516892Sodium BicarbonateHCID 27960291-Hydroxybenzotriazole hydrateHCID 164951143-(3-Methylthiophen-2-yl)propanoic acidHCID 22141143N-[3-(6-methyl-3-azabicyclo[3.1.0]hex-6-yl)phenyl)methanesulfonamide

生成物 1

HCID 22141226N-(3-{6-methyl-3-[3-(3-methyl-2-thienyl)propanoyl]-3-azabicyclo[3.1.0]hex-6-yl}phenyl)methanesulfonamide収率 126.6%

実験手順

To a solution of 3-(3-methyl-2-thienyl)propanoic acid (J. W. McFarland et al., J. Med. Chem., 1970, 13, 113, 200 mg, 1.17 mmol) in N,N-dimethylforiamride (25 ml) was added 1-hydroxybenzotriazole monohydrate (200 mg, 1.31 mmol) and 1-(3-dimethylaminopropyl)-3-ethylcarbodlimide hydrochloride (340 mg, 1.77 mmol). After stirring at room temperature for 10 min, the mixture was treated with the hydrochloride salt of N-[3-(6-methyl-3-azabicyclo[3.1.0]hex-6-yl)phenyl]methanesulfonamide (Preparation 53, 400 mg, 1.32 mmol) and sodium hydrogen carbonate (200 mg, 2.38 mmol). The reaction mixture was stirred at room temperature overnight and then concentrated in vacuo. Water (10 ml) was added and the reaction mixture was extracted with ethyl acetate (2×15 ml). The combined organic extracts were washed with water (10 ml), dried (MgSO4), and concentrated in vacuo to afford 620 mg of a brown oil. This was purified by chromatography using a Biotage Flash 12™ cartridge packed with silica gel (8 g) eluting with hexane:ethyl acetate (100:0 to 0:100 over 30 min) and then with ethyl acetate:methanol (100:0 to 0:100 over 5 min) to afford the title compound as a colourless oil (244 mg, 50%).

後処理

  1. stirringThe reaction mixture was stirred at room temperature overnight
  2. concentrationconcentrated in vacuo
  3. additionWater (10 ml) was added
  4. extractionthe reaction mixture was extracted with ethyl acetate (2×15 ml)
  5. washThe combined organic extracts were washed with water (10 ml)
  6. dry with materialdried (MgSO4)
  7. concentrationconcentrated in vacuo

出典と根拠

ORDレコード
ord-60545aa143b644fe95368cae6ee9d15b
出典データセット
uspto-grants-2001_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06313312B1

反応ノート

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