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Ethanol → ethyl {(3S)-3-[(benzylamino)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-5-yl}acetate

HRID 1259462
ノート
印刷プレビュー

反応式

HRID 1259462 の反応式
[CH2:1]([NH:8][CH2:9][C@H:10]1[CH2:15][O:14][C:13]2[CH:16]=[CH:17][C:18]([N+:23]([O-:25])=[O:24])=[C:19]([CH2:20][C:21]#N)[C:12]=2[O:11]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.S(=O)(=O)(O)O.[OH-:31].[NH4+].[CH2:33]([OH:35])[CH3:34]>>[CH2:33]([O:35][C:21](=[O:31])[CH2:20][C:19]1[C:12]2[O:11][C@@H:10]([CH2:9][NH:8][CH2:1][C:2]3[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=3)[CH2:15][O:14][C:13]=2[CH:16]=[CH:17][C:18]=1[N+:23]([O-:25])=[O:24])[CH3:34]
参加物反応条件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 702Ethanol2 回HCID 1118Sulfuric AcidHCID 14923Ammonium HydroxideHCID 25019979{(3S)-3-[(benzylamino)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-5-yl}acetonitrile

生成物 1

HCID 59456459ethyl {(3S)-3-[(benzylamino)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-5-yl}acetate収率 106%

反応条件

温度
75 °C

実験手順

A 100 mL round bottomed flask equipped with a magnetic stir bar is charged {(3S)-3-[(benzylamino)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-5-yl}acetonitrile (5.00 g, 14.5 mmol) and 95% ethanol (7.5 mL). To the stirred solution is added 95% sulfuric acid (5.0 mL, 89.0 mmol). The flask is immersed in an oil bath and heated to 75° C. for 4 days. The solution is cooled to room temperature and absolute ethanol (42.5 mL) is added. The reaction mixture is adjusted to pH 10 by the addition of 28% ammonium hydroxide (˜12 mL), and the resulting slurry is stirred for 3 h. The precipitate is removed by vacuum filtration and the volatiles are evaporated giving crude title compound (6.02 g, 106%) as a red syrup. LCMS (Basic Method): 2.33 min, 387 (M+H)+.

後処理

  1. customA 100 mL round bottomed flask equipped with a magnetic stir bar
  2. customThe flask is immersed in an oil bath
  3. temperatureThe solution is cooled to room temperature
  4. customThe precipitate is removed by vacuum filtration
  5. customthe volatiles are evaporated

出典と根拠

ORDレコード
ord-2f20b3f06ae1406fb77f55e42cc5387b
出典データセット
uspto-grants-2013_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08466296B2

反応ノート

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