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Oxalyl chloride → N-(4-bromo-2-fluoro-benzyl)4-fluoro-2-methoxy-5-methyl-benzamide

HRID 2229557
ノート
印刷プレビュー

反応式

HRID 2229557 の反応式
[F:1][C:2]1[C:10]([CH3:11])=[CH:9][C:5]([C:6]([OH:8])=O)=[C:4]([O:12][CH3:13])[CH:3]=1.C(Cl)(=O)C(Cl)=O.C(N(C(C)C)CC)(C)C.Cl.[Br:30][C:31]1[CH:38]=[CH:37][C:34]([CH2:35][NH2:36])=[C:33]([F:39])[CH:32]=1>ClCCl.CN(C=O)C>[Br:30][C:31]1[CH:38]=[CH:37][C:34]([CH2:35][NH:36][C:6](=[O:8])[C:5]2[CH:9]=[C:10]([CH3:11])[C:2]([F:1])=[CH:3][C:4]=2[O:12][CH3:13])=[C:33]([F:39])[CH:32]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 4

HCID 65578Oxalyl chlorideHCID 81531DiisopropylethylamineHCID 184681594-Fluoro-2-methoxy-5-methylbenzoic acidHCID 184681974-Bromo-2-fluorobenzylamine hydrochloride

生成物 1

HCID 18468165N-(4-bromo-2-fluoro-benzyl)4-fluoro-2-methoxy-5-methyl-benzamide収率 97.3%

試薬・触媒・溶媒 2

HCID 6228
Dimethylformamide
溶媒
HCID 6344Dichloromethane溶媒2 回

実験手順

Under a dry atmosphere of nitrogen, a solution of 4-fluoro-2-methoxy-5-methyl-benzoic acid (1.19 g, 6.47 mmol) in dichloromethane (16 mL, 0.5 M) was treated with oxalyl chloride (1.7 mL, 19.4 mmol) and a drop of DMF at 0° C. The mixture was allowed to gradually warm to room temperature and was then concentrated to afford a yellow powder. The powder was dissolved in dichloromethane (16 mL, 0.5 M). To the stirring solution at 0° C. was added diisopropylethylamine (2.8 mL, 16.2 mmol) followed by 4-bromo-2-fluorobenzylamine hydrochloride salt (2.34 g, 9.71 mmol). Stirring under nitrogen, the mixture was gradually allowed to warm to room temperature. After 21 hours, the reaction was washed successively with 1N HCl (3×50 mL) and saturated aq NaCl (50 mL). The organic layer was dried over Na2SO4, filtered, and concentrated to afford N-(4-bromo-2-fluoro-benzyl)-4-fluoro-2-methoxy-5-methyl-benzamide (2.33 g, 97%) as a brown oil which was used without further purification: Rf 0.40 (30% ethyl acetate in heptane); 1H NMR (CDCl3, 300 MHz)δ 8.17 (bd s, 1H), 8.06 (d, J=9.3 Hz, 1H), 7.33-7.22 (m, 3H), 6.65 (d, J=11.1 Hz, 1H), 4.63 (d, J=6.3 Hz, 2H), 3.92 (s, 3H), 2.23 (bd d, J=1.8 Hz, 3H).

後処理

  1. customat 0° C
  2. concentrationwas then concentrated
  3. customto afford a yellow powder
  4. temperatureto warm to room temperature
  5. washthe reaction was washed successively with 1N HCl (3×50 mL) and saturated aq NaCl (50 mL)
  6. dry with materialThe organic layer was dried over Na2SO4
  7. filtrationfiltered
  8. concentrationconcentrated

出典と根拠

ORDレコード
ord-cd277242edf64a478fdbd8965829504b
出典データセット
uspto-grants-2002_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06420426B1

反応ノート

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