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Potassium Carbonate → 2-(1,1-dimethylethylsulfinamido)-N'-hydroxy-2-methylpropanimidamide

HRID 1854731
ノート
印刷プレビュー

反応式

HRID 1854731 の反応式
C(=O)([O-])[O-].[K+].[K+].[C:7]([C:9]([NH:12][S:13]([C:15]([CH3:18])([CH3:17])[CH3:16])=[O:14])([CH3:11])[CH3:10])#[N:8].Cl.[NH2:20][OH:21]>CCO>[CH3:16][C:15]([CH3:18])([S:13]([NH:12][C:9]([CH3:11])([CH3:10])[C:7](=[N:20][OH:21])[NH2:8])=[O:14])[CH3:17]
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 3

HCID 11430Potassium CarbonateHCID 443297Hydroxyamine hydrochlorideHCID 90402306HCID 90402306、化合物

生成物 1

HCID 904022952-(1,1-dimethylethylsulfinamido)-N'-hydroxy-2-methylpropanimidamide収率 85%

試薬・触媒・溶媒 1

HCID 702Ethanol溶媒

反応条件

温度
60 °C

実験手順

Potassium carbonate (2.94 g, 21.2 mmol) was added to a stirring solution of N-(2-cyanopropan-2-yl)-2-methylpropane-2-sulfinamide (1.0 g, 5.3 mmol) and hydroxylamine hydrochloride (738 mg, 10.6 mmol) in EtOH (18 mL) at rt. The reaction was heated to 60° C. for 16 h. The reaction was then concentrated and the resulting residue was diluted with EtOAc and washed with water, and sat NaCl aq. The organic phase was dried over Na2SO4, filtered and concentrated azeotroping with toluene to give the expected product 2-(1,1-dimethylethylsulfinamido)-N′-hydroxy-2-methylpropanimidamide (1.0 g, 4.5 mmol, 85% yield) as a white solid consistent by LCMS and NMR. LC-MS retention time: 0.35 min; m/z (MH+): 222. LC data was recorded on a Shimadzu LC-10AS liquid chromatograph equipped with a Phenomenex-Luna 3u C18 2.0×30 mm column using a SPD-10AV UV-Vis detector at a detector wave length of 220 nM. The elution conditions employed a flow rate of 1 mL/min, a gradient of 100% solvent A/0% solvent B to 0% solvent A/100% solvent B, a gradient time of 2 min, a hold time of 1 min, and an analysis time of 3 min where solvent A was 10% acetonitrile/90% H2O/0.1% trifluoroacetic acid and solvent B was 10% H2O/90% acetonitrile/0.1% trifluoroacetic acid. MS data was determined using a Micromass Platform for LC in electrospray mode. 1H NMR (400 MHz, DMSO-d6) δ 9.14 (s, 1H), 5.27 (s, 1H), 5.25 (s, 2H), 1.36 (d, J=5.0 Hz, 6H), 1.12 (s, 9H).

後処理

  1. concentrationThe reaction was then concentrated
  2. additionthe resulting residue was diluted with EtOAc
  3. washwashed with water
  4. dry with materialwas dried over Na2SO4
  5. filtrationfiltered
  6. concentrationconcentrated
  7. customazeotroping with toluene

出典と根拠

ORDレコード
ord-865780f5f3e74a80a33476735814d739
出典データセット
uspto-grants-2015_02
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08962651B2

反応ノート

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