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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrogen Peroxide → HCID 9862505, 화합물

HRID 2299566
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HRID 2299566 반응식
[C:1]1([S:7]([O:10][C:11]2[CH:21]=[CH:20][C:14]3[S:15][CH:16]=[C:17]([CH2:18][OH:19])[C:13]=3[CH:12]=2)(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C1(S(OC2C=CC(SCC#C)=CC=2)(=O)=[O:29])C=CC=CC=1.Cl[O-].[Na+].S(=O)(=O)(O)O.S([O-])([O-])=O.[Na+].[Na+].Cl([O-])=O.[Na+].OO>C(#N)C.O.CC1(C)N([O])C(C)(C)CCC1>[C:1]1([S:7]([O:10][C:11]2[CH:21]=[CH:20][C:14]3[S:15][CH:16]=[C:17]([C:18]([OH:29])=[O:19])[C:13]=3[CH:12]=2)(=[O:8])=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

11

반응물 7

HCID 784Hydrogen PeroxideHCID 1118Sulfuric AcidHCID 24437Sodium SulfiteHCID 10892558HCID 10892558, 화합물HCID 10924734HCID 10924734, 화합물HCID 23665760Sodium Hypochlorite2회HCID 23668197Sodium Chlorite

생성물 1

HCID 9862505HCID 9862505, 화합물수율 51.7%

시약·촉매·용매 3

HCID 2724126Tempo촉매HCID 962Water용매HCID 6342Acetonitrile용매2회

실험 절차

The compound (4) (51.26 g, 155 mmol) prepared in above (3) was dissolved in acetonitrile (1.54 L), and TEMPO (2,2,6,6-tetramethylpiperidine-1-oxyl, 250 mg, 0.01 eq.) was added thereto. To the mixture was added dropwise 0.81 N aqueous sodium hypochlorite, which had been prepared by diluting 1.63 N aqueous sodium hypochlorite (150 ml) with water (75 ml), adjusting pH 8.6 with 1 N sulfuric acid, and adjusting the total volume to 300 ml, over 15 minutes, while maintaining the inner temperature between −1° C. and 8° C. After stirring for 25 minutes at this temperature, 1 N aqueous sodium sulfite (32 ml) was added. Subsequently, 79% sodium chlorite (27.48 g, 240 mmol) and 31% aqueous hydrogen peroxide (23.26 g, 212 mmol) were added under ice-cooling. The cooling bath was removed and the mixture was stirred for 2 hours. The reaction was diluted with water (1.5 L), adjusted to pH 3 with 1 N hydrochloric acid and the deposited crystals were filtered, and washed twice with water (200 ml), acetonitrile (50 ml) to provide 32.4 g of crude crystals. The crude crystals (32.4 g) were suspended in acetonitrile (224 ml), refluxed for 15 minutes and cooled on ice. The crystals were filtered and washed with acetonitrile (65 ml) to provide 26.79 g of the title compound (6). Yield: 51.7%, mp 202-203° C.

후처리

  1. customhad been prepared
  2. temperaturewhile maintaining the inner temperature between −1° C. and 8° C
  3. additionwas added
  4. temperaturecooling
  5. customThe cooling bath was removed
  6. additionThe reaction was diluted with water (1.5 L)
  7. filtrationthe deposited crystals were filtered
  8. washwashed twice with water (200 ml), acetonitrile (50 ml)
  9. customto provide 32.4 g of crude crystals
  10. temperaturerefluxed for 15 minutes
  11. temperaturecooled on ice
  12. filtrationThe crystals were filtered
  13. washwashed with acetonitrile (65 ml)

출처 및 근거

ORD 기록
ord-b81527dd63e34c769f644b23936f8849
출처 데이터셋
uspto-grants-2002_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06495702B2

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