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Hydrochloric Acid → HCID 10056005、化合物

HRID 585040
ノート
印刷プレビュー

反応式

HRID 585040 の反応式
[NH2:1][C:2]1[CH:7]=[C:6]([C:8]([F:11])([F:10])[F:9])[CH:5]=[CH:4][C:3]=1[NH:12][C:13]1[CH:20]=[CH:19][CH:18]=[CH:17][C:14]=1C#N.C[CH2:22][N:23](CC)CC.[C:28]12[C:42](=[O:43])[O:41][S:38](=[O:40])(=[O:39])[C:29]=1[C:30]([Br:37])=[C:31]([Br:36])[C:32]([Br:35])=[C:33]2[Br:34].Cl>C1COCC1>[Br:37][C:30]1[C:31]([Br:36])=[C:32]([Br:35])[C:33]([Br:34])=[C:28]([C:42]([NH:1][C:2]2[CH:7]=[C:6]([C:8]([F:9])([F:10])[F:11])[CH:5]=[CH:4][C:3]=2[NH:12][C:13]2[CH:20]=[CH:19][C:18]([C:22]#[N:23])=[CH:17][CH:14]=2)=[O:43])[C:29]=1[S:38]([OH:41])(=[O:40])=[O:39]
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

6

反応物 4

HCID 313Hydrochloric AcidHCID 8471TriethylamineHCID 1103353H-2,1-Benzoxathiol-3-one, 4,5,6,7-tetrabromo-, 1,1-dioxideHCID 22339364HCID 22339364、化合物

生成物 1

HCID 10056005HCID 10056005、化合物

試薬・触媒・溶媒 1

HCID 8028Tetrahydrofuran溶媒

反応条件

温度
40 °C

実験手順

Into a mL are placed -{[2-amino-4-(trifluoromethyl)phenyl]amino}benzonitrile (100 mg, 0.361 mmol), Et3N (0.15 mL, 1.08 mmol), tetrabromo-2-sulfobenzoic acid cyclic anhydride (270 mg, 0.541 mmol), and THF (5 mL). The mixture is heated with efficient shaking at 40° C. for 16 h. The solution is cooled and 1M HCl is added and the organic phase is extracted with EtOAc (3×). The organic fractions are combined, washed with brine, and concentrated. The crude product is dissolved in MeOH (20 mL) and then Dowex (10 eq) is added. The mixture is efficiently shaken at rt for 16 h. The resin is then filtered and the solution concentrated. The yield is 108 mg of 2,3,4,5-tetrabromo-6-({[2-[(4-cyanophenyl)amino]-5-(trifluoromethyl)phenyl]amino}carbonyl)benzenesulfonic acid, 46%. 1H NMR (400 MHz, DMSO-d6): □ 10.06 (s, 1 H), 8.89 (s, 1 H), 7.70-7.68 (m, 2 H), 7.65-7.61 (m, 2 H), 7.56-7.54 (m, 1 H), 7.32-7.30 (m, 2 H). ESI+ for C21H10Br4F3N3O4S m/z 778 (M+H)+.

後処理

  1. temperatureThe mixture is heated
  2. temperatureThe solution is cooled
  3. extractionthe organic phase is extracted with EtOAc (3×)
  4. washwashed with brine
  5. concentrationconcentrated
  6. dissolutionThe crude product is dissolved in MeOH (20 mL)
  7. additionDowex (10 eq) is added
  8. stirringThe mixture is efficiently shaken at rt for 16 h
  9. filtrationThe resin is then filtered
  10. concentrationthe solution concentrated

出典と根拠

ORDレコード
ord-825c155076c34d4d98fbf4958b70e0e2
出典データセット
uspto-grants-2005_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06930106B2

反応ノート

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