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Sulfuric Acid → Cetirizine

HRID 1003750
ノート
印刷プレビュー

反応式

HRID 1003750 の反応式
[CH2:1]1[N:6]([CH2:7][CH2:8][O:9][CH2:10][CH2:11][OH:12])[CH2:5][CH2:4][N:3]([CH:13]([C:20]2[CH:25]=[CH:24][C:23]([Cl:26])=[CH:22][CH:21]=2)[C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[CH2:2]1.Cl.Cl.CC(C)=[O:31].OS(O)(=O)=O.O=[Cr](=O)=O.S(=O)(=O)(O)O.[OH-].[Na+]>CC(C)=O.O.[O-2].[O-2].[O-2].[Cr+6].C(O)(C)C>[Cl:26][C:23]1[CH:24]=[CH:25][C:20]([CH:13]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[N:3]2[CH2:2][CH2:1][N:6]([CH2:7][CH2:8][O:9][CH2:10][C:11]([OH:31])=[O:12])[CH2:5][CH2:4]2)=[CH:21][CH:22]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

9

反応物 4

HCID 1118Sulfuric AcidHCID 14798Sodium HydroxideHCID 91513Hydroxyzine HydrochlorideHCID 131709961Jones' reagent

生成物 1

HCID 2678Cetirizine収率 60.7%

試薬・触媒・溶媒 4

HCID 10219390chromium (VI) trioxide触媒
HCID 180
Acetone
溶媒
HCID 962Water溶媒2 回
HCID 3776Isopropanol溶媒

実験手順

To a stirred suspension of hydroxyzine dihydrochloride (70.0 g, 0.156 mol) in acetone (560 ml), Jones reagent (130 ml, 0.351 mol), which was made by adding sulphuric acid (115 ml) to a solution of chromium trioxide (133.7 g) in water (250 ml) and adding water to the total volume of 500 ml, was added dropwise in a period of 2 hours. The stirring was continued for further 17 hours at room temperature. Isopropanol (10 ml) was added dropwise and the mixture was stirred for 1 hour. 25% aqueous NaOH solution (250 ml) was added slowly to adjust pH to ca. 12. Celite (100 g) was then added and the suspension was stirred for 20 min. The mixture was filtered through a pad of celite (13×2 cm) and washed with 2:1 acetone-water (3×200 ml). Evaporation of the most acetone from the combined filtrate gave a aqueous suspension. The suspension was washed by ethyl acetate (100 ml) and 5% aqueous NaCl solution (100 ml) This washing procedure was repeated 5 times. Water (500 ml) was added to the isolated middle oily layer. 5% HCl aqueous solution was used to adjust pH to ca 2. After being washed with dichloromethane (2×200 ml), the aqueous solution was adjusted to pH=6 with 25% NaOH solution and extracted with dichloromethane (3×250 ml). The combined organic extract was treated with charcoal (10 g) and filtered through a pad of celite (13×2 cm). Evaporation of solvent afforded the titled compound as a pale white foam (36.8 g, yield 60%) δH (CDCl3 ; 300 MHz) 13.73 (1H, br), 7, 14-7.36 (9H, m), 4.24 (1H, s), 3.95 (2H, s), 3.68-3.78 (2H, m), 3.09 (4H, br), 2.89-2.98 (2H, m), 2.62 (4H, br); δC (CDCl3 ; 75.47 MHz) 175.09, 141.33, 140.53, 132.93, 128.95, 128.89, 128.83, 127.56, 74.65, 70.23, 66.56, 56.72, 53.09, 49.24; Found: M+, 388.1544. C21H25Cl1N2O3 requires M, 388.1554.

後処理

  1. additionwas added dropwise in a period of 2 hours
  2. additionCelite (100 g) was then added
  3. stirringthe suspension was stirred for 20 min
  4. filtrationThe mixture was filtered through a pad of celite (13×2 cm)
  5. washwashed with 2:1 acetone-water (3×200 ml)
  6. customEvaporation of the most acetone from the combined filtrate
  7. customgave a aqueous suspension
  8. washThe suspension was washed by ethyl acetate (100 ml) and 5% aqueous NaCl solution (100 ml) This washing procedure
  9. additionWater (500 ml) was added to the isolated middle oily layer
  10. washAfter being washed with dichloromethane (2×200 ml)
  11. extractionextracted with dichloromethane (3×250 ml)
  12. extractionThe combined organic extract
  13. additionwas treated with charcoal (10 g)
  14. filtrationfiltered through a pad of celite (13×2 cm)
  15. customEvaporation of solvent

出典と根拠

ORDレコード
ord-5757f628b9df470e8182d558657e6290
出典データセット
uspto-grants-2000_04
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06046332

反応ノート

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