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Dimethylformamide → 1-(2-Aminobenzothiazol-6-yl)-3-(4-chloro-3-trifluoromethylphenyl)urea

HRID 2108901
ノート
印刷プレビュー

反応式

HRID 2108901 の反応式
CC(OC([NH:8][C:9]1[S:13][C:12]2[CH:14]=[C:15]([NH2:18])[CH:16]=[CH:17][C:11]=2[N:10]=1)=O)(C)C.[Cl:19][C:20]1[CH:25]=[CH:24][C:23]([N:26]=[C:27]=[O:28])=[CH:22][C:21]=1[C:29]([F:32])([F:31])[F:30].CN(C)C=O.FC(F)(F)C(O)=O>ClCCl.O>[NH2:8][C:9]1[S:13][C:12]2[CH:14]=[C:15]([NH:18][C:27]([NH:26][C:23]3[CH:24]=[CH:25][C:20]([Cl:19])=[C:21]([C:29]([F:31])([F:30])[F:32])[CH:22]=3)=[O:28])[CH:16]=[CH:17][C:11]=2[N:10]=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 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 27332651-Chloro-4-isocyanato-2-(trifluoromethyl) benzeneHCID 58305681HCID 58305681、化合物2 回

生成物 1

HCID 231325021-(2-Aminobenzothiazol-6-yl)-3-(4-chloro-3-trifluoromethylphenyl)urea

試薬・触媒・溶媒 2

HCID 962
Water
溶媒
HCID 6344Dichloromethane溶媒

実験手順

A mixture of 6-aminobenzothiazol-2-yl tert-butyl carbamate (Intermediate 4, 0.796 g, 3.0 mmol), 4-chloro-3-(trifluoromethyl)phenyl isocyanate (0.731 g, 3.3 mmol) and dimethylformamide (80 mL) was stirred overnight at r.t. Water was added, the resulting precipitate was filtered off, washed thoroughly with water and dried. The so obtained material was suspended in dichloromethane (15 mL) and trifluoroacetic acid (15 mL) was added. After stirring for 1.5 h at r.t., the volatiles were removed in vacuo and dimethylformamide (20 mL) was added to the residue. The solution was neutralised by adding saturated sodium hydrogencarbonate solution. Water was added and the resulting precipitate was filtered off, washed with water and dried (grey solid, 0.999 g, 2.58 mmol, 86%). LC/ESI-MS: m/z=387 [M(35Cl)+H]+; m/z=385 [M(35Cl)−H]−; Rt=3.54 min.

後処理

  1. filtrationthe resulting precipitate was filtered off
  2. washwashed thoroughly with water
  3. customdried
  4. customThe so obtained material
  5. stirringAfter stirring for 1.5 h at r.t.
  6. customthe volatiles were removed in vacuo and dimethylformamide (20 mL)
  7. additionwas added to the residue
  8. additionby adding saturated sodium hydrogencarbonate solution
  9. additionWater was added
  10. filtrationthe resulting precipitate was filtered off
  11. washwashed with water
  12. customdried (grey solid, 0.999 g, 2.58 mmol, 86%)

出典と根拠

ORDレコード
ord-9017e9b89ecb442c987e96d5bae09430
出典データセット
uspto-grants-2009_04
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07514460B2

反応ノート

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