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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → 4-[5-(trifluoromethyl)-1H-tetrazol-1-yl]benzoic acid

HRID 2047477
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반응식

HRID 2047477 반응식
[F:1][C:2]([F:19])([F:18])[C:3]1[N:7]([C:8]2[CH:17]=[CH:16][C:11]([C:12]([O:14]C)=[O:13])=[CH:10][CH:9]=2)[N:6]=[N:5][N:4]=1.[OH-].[Li+].Cl>C1COCC1.CO.O>[F:19][C:2]([F:1])([F:18])[C:3]1[N:7]([C:8]2[CH:17]=[CH:16][C:11]([C:12]([OH:14])=[O:13])=[CH:10][CH:9]=2)[N:6]=[N:5][N:4]=1
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참가 물질

5

반응물 3

HCID 313Hydrochloric AcidHCID 3939Lithium HydroxideHCID 67233109HCID 67233109, 화합물

생성물 1

HCID 672325714-[5-(trifluoromethyl)-1H-tetrazol-1-yl]benzoic acid수율 87.2%

시약·촉매·용매 1

HCID 21892291Methanol tetrahydrofuran water용매

실험 절차

To a solution of the compound (5.2 g) obtained in step 1 in THF/methanol/water (6.0/18/9.5 mL) was added 4N aqueous lithium hydroxide solution (9.5 mL), and the mixture was stirred at room temperature for 4 hr. The mixture was acidified with 1N hydrochloric acid, concentrated under reduced pressure, diluted with water, and extracted with ethyl acetate. The extract was washed with water and saturated brine, dried, filtered through silica gel (eluted with ethyl acetate). The filtrate was concentrated under reduced pressure, and crystallized from ethyl acetate/hexane to give the title compound (4.3 g, 86%) as a pale-yellow powder.

후처리

  1. concentrationconcentrated under reduced pressure
  2. additiondiluted with water
  3. extractionextracted with ethyl acetate
  4. washThe extract was washed with water and saturated brine
  5. customdried
  6. filtrationfiltered through silica gel (eluted with ethyl acetate)
  7. concentrationThe filtrate was concentrated under reduced pressure
  8. customcrystallized from ethyl acetate/hexane

출처 및 근거

ORD 기록
ord-51c27715abe843d6a77452ea9472847f
출처 데이터셋
uspto-grants-2013_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08592454B2

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