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Pyridine → 2-[(2,6-dichloro-3-methylphenyl)aminophenyl]benzaldehyde-O-carboxymethyl oxime

HRID 357284
ノート
印刷プレビュー

反応式

HRID 357284 の反応式
[Cl:1][C:2]1[C:7]([CH3:8])=[CH:6][CH:5]=[C:4]([Cl:9])[C:3]=1[NH:10][C:11]1[CH:18]=[CH:17][CH:16]=[CH:15][C:12]=1[CH:13]=O.Cl.[C:20]([CH2:23][O:24][NH2:25])([OH:22])=[O:21].[C:26](CON)(O)=O.N1[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=1>C(O)C>[C:20]([CH2:23][O:24][N:25]=[CH:33][C:34]1[CH:35]=[CH:36][CH:37]=[CH:26][C:13]=1[C:12]1[CH:15]=[CH:16][CH:17]=[CH:18][C:11]=1[NH:10][C:3]1[C:4]([Cl:9])=[CH:5][CH:6]=[C:7]([CH3:8])[C:2]=1[Cl:1])([OH:22])=[O:21]
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 3

HCID 1049PyridineHCID 2723609Aminooxyacetic acid hemihydrochlorideHCID 150273772-[(2,6-Dichloro-3-methylphenyl)amino]benzaldehyde

生成物 1

HCID 1317209532-[(2,6-dichloro-3-methylphenyl)aminophenyl]benzaldehyde-O-carboxymethyl oxime収率 54%

試薬・触媒・溶媒 1

HCID 702Ethanol溶媒

実験手順

A mixture in ethanol (20 mL) of 2-[(2,6-dichloro-3-methylphenyl)amino]benzaldehyde (1.10 g, 3.9 mmol), prepared as in step 1 above, O-carboxymethyl hydroxylamine hemihydrochloride (0.945 g, 4.3 mmol), and pyridine (8 mL) was stirred at reflux for 18 hours. After cooling the reaction was concentrated and the residue was acidified to pH 2 with 10% aqueous citric acid. The mixture was then extracted with ethyl acetate (4×100 mL), the combined organic layers were washed with water and brine, dried over MgSO4, filtered, evaporated in vacuo. Purification by chromatography on silica gel (9:1 hexane/ethyl acetate, followed by 9:1 CH2Cl2 /CH3OH) and crystallization from ethyl acetate-ether-hexane gave 2-[(2,6-dichloro-3-methylphenyl)aminophenyl]benzaldehyde-O-carboxymethyl oxime (751 mg, 54%). mp 129°-130° C.; 1H NMR (300 MHz, DMSO-d6)δ2.37 (s, 3H), 4.70 (s, 2H), 6.21 (d, J=9 Hz, 1H), 6.83 (t, J=7.5 Hz, 1H), 7.17 (t, J=7.5 Hz, 1H), 7.33 (d, J=9 Hz, 1H), 7.45 (d, J=9 Hz, 1H), 7.50 (d, J=9 Hz, 1H), 8.58 (s, 1H), 8.73 (s, 1H), 12.81 (broad s, 1H); MS (DCI-NH3) m/z 353 (M+H)+, 370 (M+NH4)+. Anal. Calcd for C16H14Cl2N2 O3 : C, 54.41, H, 4.00, N, 7.93. Found: C, 54.13, H, 3.92; N, 7.69.

後処理

  1. temperatureat reflux for 18 hours
  2. temperatureAfter cooling the reaction
  3. concentrationwas concentrated
  4. extractionThe mixture was then extracted with ethyl acetate (4×100 mL)
  5. washthe combined organic layers were washed with water and brine
  6. dry with materialdried over MgSO4
  7. filtrationfiltered
  8. customevaporated in vacuo
  9. customPurification by chromatography
  10. customon silica gel (9:1 hexane/ethyl acetate, followed by 9:1 CH2Cl2 /CH3OH) and crystallization from ethyl acetate-ether-hexane

出典と根拠

ORDレコード
ord-75869f7ed53c4f999bf6cc48f521a506
出典データセット
uspto-grants-1998_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US05840758

反応ノート

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