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Acetonitrile → (2E)-4-(Dimethylamino)-2-butenoyl chloride

HRID 404783
ノート
印刷プレビュー

反応式

HRID 404783 の反応式
C(#N)C.Cl.[CH3:5][N:6](/[C:8](=[CH:12]\[CH3:13])/C(O)=O)[CH3:7].C(Cl)(=O)[C:15]([Cl:17])=[O:16]>CN(C=O)C>[CH3:7][N:6]([CH2:8]/[CH:12]=[CH:13]/[C:15]([Cl:17])=[O:16])[CH3:5]
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 6342AcetonitrileHCID 65578Oxalyl chlorideHCID 86630629Dimethylaminocrotonic acid hydrochloride

生成物 1

HCID 10012053(2E)-4-(Dimethylamino)-2-butenoyl chloride

試薬・触媒・溶媒 1

HCID 6228Dimethylformamide溶媒

反応条件

温度
2.5 °C

実験手順

To a stirred solution of acetonitrile (20 mL) and DMF (0.05 mL) under N2 was added N,N-dimethylamino crotonic acid hydrochloride (0.47 g, 2.8 mmol). After 10 min this solution was cooled to 0-5° C. Oxalyl chloride (0.44 g, 3.5 mmol) was added and the reaction mixture was maintained at 0-5° C. for 30 min. It was allowed to warm to rt and stirring was continued for 2 h. It was then heated to 40° C. for 5 min and again brought to rt and stirred for 10 min to get a light greenish colored solution of dimethylaminocrotonyl chloride that was used as such for next step. To a stirred solution of N4-(6-aminopyridin-2-yl)-N6-phenylpyrimidine-4,6-diamine (0.2 g, 0.7 mmol) in NMP (10 mL) was added dropwise under N2 atmosphere at 0° C. the solution of dimethylaminocrotonyl chloride. The reaction mixture was maintained at this temperature for 30 min and was warmed to rt and stirred for 2 h. The mixture was quenched with sodium bicarbonate solution (1 mL) and was extracted with EtOAc (2×35 mL). The combined ethyl acetate extract was washed with water (20 mL) and brine (20 mL), was dried over Na2SO4 and was concentrated under reduced pressure. The residue was purified by column chromatography (SiO2, 60-120, product was eluted at 4-6% methanol in chloroform) to give (E)-4-(dimethylamino)-N-(6-(6-(phenylamino)pyrimidin-4-ylamino)pyridine-2-yl)but-2-enamide (I-73) as a yellowish solid. 1H NMR (DMSO-d6) δ ppm: 2.24 (s, 6H), 3.13 (d, J=5.76 Hz, 2H), 6.56 (d, J=15.52 Hz, 1H), 6.80 (d, J=15.36 Hz, 1H), 6.95 (t, J=7.36 Hz, 1H), 7.11 (t, J=1.16 Hz, 1H), 7.29 (t, J=7.56 Hz, 2H), 7.58 (s, 1H), 7.65-7.7 (m, 4H), 8.31 (d, J=2.44 Hz, 1H), 9.23 (s, 1H), 9.68 (s, 1H), 10.16 (s, 1H); LCMS: m/e 390.3 (M+1).

後処理

  1. temperaturethe reaction mixture was maintained at 0-5° C. for 30 min
  2. temperatureto warm to rt
  3. temperatureIt was then heated to 40° C. for 5 min
  4. customagain brought to rt
  5. stirringstirred for 10 min

出典と根拠

ORDレコード
ord-64c910afe655497badf1850ac53263ae
出典データセット
uspto-grants-2014_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08748606B2

反応ノート

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