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Sulfuric Acid → 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1)

HRID 1032861
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HRID 1032861 반응식
C[O:2][S:3]([O-:6])(=[O:5])=[O:4].[CH2:7]([N+:25]([CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45])([CH3:27])[CH3:26])[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24].S(=O)(=O)(O)O>CO.O>[S:3](=[O:4])(=[O:2])([OH:6])[O-:5].[CH2:28]([N+:25]([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])([CH3:27])[CH3:26])[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45]
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참가 물질

5

반응물 2

HCID 1118Sulfuric AcidHCID 77450Dimethyldioctadecylammonium methyl sulfate

생성물 1

HCID 935451-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1)수율 71%

시약·촉매·용매 2

HCID 887Methanol용매HCID 962Water용매

반응 조건

온도
350 °C

실험 절차

In a 1 liter 3-necked round bottomed flask equipped with a mechanical stirrer and reflux condenser were suspended 60 grams (90.8 millimoles) of distearyl dimethyl ammonium methylsulfate in a mixture of 168.75 grams of methanol and 56.25 grams of deionized water. 9.57 grams of 95 percent sulfuric acid (90.8 millimoles) were then added and the reaction mixture was heated at gentle reflux, at about 71° to 72° C., for 4 hours. The resulting cloudy, emulsion-like mixture was then cooled slowly. After about one hour of slow cooling at about 350° C., droplets formation was observed and at about 300° C. solid particles formation was noticed. The crystallization was continued overnight, about 18 hours, under agitation at about 20° to 25° C. The waxy slurry was filtered under vacuum on an 11 centimeter Whatman #4,filter paper on a Buchner funnel. The filtration time recorded was 20 minutes. The filter cake was reslurried In 225 grams of a 75/25 mixture of methanol and water to remove residual acidity. The mixture of methanol and water was used in order to attempt to avoid the formation of gel experienced when water only is used to wash the highly acidic wet cake. A waxy, semigelatinous slurry was obtained, which required 20 minutes to filter. One additional reslurry washing was accomplished as described above requiring a filtration time of 35 minutes. A final reslurry wash with 225 grams of acetone was accomplished after which the product was recovered by filtration and dried overnight in vacuum at about 50° C. 41.7 grams (71.0 percent yield) of distearyl dimethyl ammonium bisulfate was recovered. Analyticals: melting point (DSC) 93.1° C., H2O content 0.11 percent, bisulfate content (by titration) 14.22 percent (theoretical 14.99 percent), and a different IR fingerprint from the material of COMPARATIVE Example I.

후처리

  1. customIn a 1 liter 3-necked round bottomed flask equipped with a mechanical stirrer
  2. temperaturereflux condenser
  3. temperaturethe reaction mixture was heated at gentle reflux, at about 71° to 72° C., for 4 hours
  4. temperatureThe resulting cloudy, emulsion-like mixture was then cooled slowly
  5. customwas observed and at about 300° C.
  6. customThe crystallization
  7. filtrationThe waxy slurry was filtered under vacuum on an 11 centimeter Whatman #4,filter paper on a Buchner funnel
  8. waitThe filtration time recorded was 20 minutes
  9. additionThe filter cake was reslurried In 225 grams of a 75/25 mixture of methanol and water
  10. customto remove residual acidity
  11. additionThe mixture of methanol and water
  12. washto wash the highly acidic wet cake
  13. customA waxy, semigelatinous slurry was obtained
  14. filtrationwhich required 20 minutes to filter
  15. washOne additional reslurry washing
  16. customa filtration time of 35 minutes
  17. washA final reslurry wash with 225 grams of acetone
  18. filtrationwas recovered by filtration
  19. customdried overnight in vacuum at about 50° C

출처 및 근거

ORD 기록
ord-b7cb8597883c4bcb944f5fa1bb14d5e4
출처 데이터셋
uspto-grants-1994_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05308363

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