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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Water → HCID 57865098, 화합물

HRID 886664
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인쇄 미리보기

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HRID 886664 반응식
N1N[N:3]=[N:4][C:5]=1[C:6]1[CH:7]=[N:8][C:9]2[C:14]([CH:15]=1)=[CH:13][CH:12]=[CH:11][CH:10]=2.[N:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1.[C:22](Cl)(=[O:32])[C:23]1[CH:31]=[CH:30][CH:29]=[C:25]([C:26](Cl)=[O:27])[CH:24]=1.O>CCCCCC.C(Cl)(Cl)Cl>[N:16]1[C:21]2[C:20](=[CH:7][CH:6]=[CH:15][CH:14]=2)[CH:19]=[C:18]([C:5]2[O:32][C:22]([C:23]3[CH:31]=[CH:30][CH:29]=[C:25]([C:26]4[O:27][C:5]([C:6]5[CH:7]=[N:8][C:9]6[C:14]([CH:15]=5)=[CH:13][CH:12]=[CH:11][CH:10]=6)=[N:4][N:3]=4)[CH:24]=3)=[N:3][N:4]=2)[CH:17]=1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 962WaterHCID 1049PyridineHCID 7451Isophthaloyl chlorideHCID 223956903-(2H-Tetrazol-5-yl)quinoline

생성물 1

HCID 57865098HCID 57865098, 화합물수율 82%

시약·촉매·용매 2

HCID 6212Chloroform용매
HCID 8058
Hexane
용매

반응 조건

온도
100 °C

실험 절차

After dissolving 4.0 g of 3-(2H-tetrazole-5-yl)-quinoline into 60 ml of dehydrated pyridine, 2.1 g of isophthaloylchloride was added. The mixture was heated to 100° C. and stirred under reflux for 3 hours. After cooling to a room temperature, the reaction solution was poured into water to collect a precipitated solid by suction filtration, and the solid was washed with water. The solid was dried under vacuum at 70° C. for 20 hours to obtain a grayish white crude product. After dissolving the thus-obtained crude product into chloroform, hexane was added to allow purification by crystallization, thereby obtaining 3.90 g of 3QOXDm (31) (yield: 82%). NMR analysis (see FIG. 4) was performed for identification of the product. The results of the NMR analysis are as follows. 9.70 ppm (2H), 9.02 ppm (1H), 8.98 ppm (2H), 8.46 ppm (2H), 8.24 ppm (2H), 8.05 ppm (2H), 7.89 ppm (2H), 7.83 ppm (1H), 7.71 ppm (2H).

후처리

  1. additionwas added
  2. temperatureunder reflux for 3 hours
  3. temperatureAfter cooling to a room temperature
  4. customto collect a precipitated solid
  5. filtrationby suction filtration
  6. washthe solid was washed with water
  7. customThe solid was dried under vacuum at 70° C. for 20 hours
  8. customto obtain a grayish white crude product
  9. dissolutionAfter dissolving the
  10. additionwas added
  11. custompurification
  12. customby crystallization

출처 및 근거

ORD 기록
ord-6991daa86be0470caf72a6a45e4099a5
출처 데이터셋
uspto-grants-2012_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08247087B2

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