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Methyl iodide → 4-[3,5-di(tertiary-butyl)-4-hydroxy-N-methylanilino]phenylacetic acid

HRID 36726
ノート
印刷プレビュー

反応式

HRID 36726 の反応式
[C:1]([C:5]1[CH:6]=[C:7]([CH:19]=[C:20]([C:23]([CH3:26])([CH3:25])[CH3:24])[C:21]=1[OH:22])[NH:8][C:9]1[CH:14]=[CH:13][C:12]([CH2:15][C:16]([OH:18])=[O:17])=[CH:11][CH:10]=1)([CH3:4])([CH3:3])[CH3:2].[C:27](=O)([O-])[O-].[K+].[K+].CI>CN(C)C=O>[C:23]([C:20]1[CH:19]=[C:7]([CH:6]=[C:5]([C:1]([CH3:3])([CH3:4])[CH3:2])[C:21]=1[OH:22])[N:8]([C:9]1[CH:10]=[CH:11][C:12]([CH2:15][C:16]([OH:18])=[O:17])=[CH:13][CH:14]=1)[CH3:27])([CH3:26])([CH3:25])[CH3:24]
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 6328Methyl iodide2 回HCID 11430Potassium CarbonateHCID 139603864-[3,5-Di-(tertiary-butyl)-4-hydroxyanilino]phenylacetic acid

生成物 1

HCID 153406404-[3,5-di(tertiary-butyl)-4-hydroxy-N-methylanilino]phenylacetic acid

試薬・触媒・溶媒 1

HCID 6228Dimethylformamide溶媒

実験手順

A mixture of a solution of 6.3 g (0.018 mole) of 4-[3,5-di-(tertiary-butyl)-4-hydroxyanilino]phenylacetic acid in 10 ml of N,N-dimethylformamide and 5 g (0.036 mole) of potassium carbonate was heated on a steam bath until gas evolution ceased. The mixture was allowed to cool to ambient temperature, and 5 milliliters of methyl iodide were then added. The mixture was heated at its boiling temperature and 5 ml aliquots of methyl iodide were added at 20, 45 and 60 minutes. After the mixture had evaporated, the residue was taken up in water and 2N sodium hydroxide solution was added. The mixture was warmed, and the insoluble residue of methyl 4-[3,5-di(tertiary-butyl)-4-hydroxy-N-methyl-anilino]phenylacetate was separated by filtration. The residue was suspended and partially dissolved in 50 ml of methanol, and 10 ml of 2.5N sodium hydroxide solution was added. The mixture was stirred for about 16 hours, diluted with 300 ml of water and 300 ml of diethyl ether, and was then further diluted with about 100 ml of hexane. The mixture was acidified with dilute hydrochloric acid and the aqueous phase was discarded. The organic phase was washed first with 10% sodium bicarbonate solution and then with 5% sodium carbonate solution. The product remained in the organic phase as the sodium salt. The organic phase was acidified with 10% aqueous hydrochloric acid and washed with sodium chloride solution, followed by drying. Evaporation provided a residue which was extracted with 20 ml of boiling benzene. Hexane (6 ml) was added, and the light yellow solid was recrystallized first from 80% aqueous ethanol, and then from benzene to provide fine yellow needles of 4-[3,5-di(tertiary-butyl)-4-hydroxy-N-methylanilino]phenylacetic acid, m.p. 181°-182.5° C. Analysis: Calculated for C23H31NO3 ; %C , 74.8; % H, 8.5; % N, 3.8; Found: % C, 74.8; % H, 8.6; % N, 3.6.

後処理

  1. temperaturewas heated on a steam bath until gas evolution
  2. additionwere added at 20, 45 and 60 minutes
  3. customAfter the mixture had evaporated
  4. addition2N sodium hydroxide solution was added
  5. temperatureThe mixture was warmed
  6. customthe insoluble residue of methyl 4-[3,5-di(tertiary-butyl)-4-hydroxy-N-methyl-anilino]phenylacetate was separated by filtration
  7. dissolutionpartially dissolved in 50 ml of methanol
  8. addition10 ml of 2.5N sodium hydroxide solution was added
  9. additiondiluted with 300 ml of water and 300 ml of diethyl ether
  10. additionwas then further diluted with about 100 ml of hexane
  11. washThe organic phase was washed first with 10% sodium bicarbonate solution
  12. washwashed with sodium chloride solution
  13. customby drying
  14. customEvaporation
  15. customprovided a residue which
  16. extractionwas extracted with 20 ml of boiling benzene
  17. additionHexane (6 ml) was added
  18. customthe light yellow solid was recrystallized first from 80% aqueous ethanol

出典と根拠

ORDレコード
ord-837c228273dd44b4b4a18d91a6cde5f2
出典データセット
uspto-grants-1995_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US05416113

反応ノート

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