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Acetic Acid → 1-(3-Cyano-4-hexyloxyphenyl)pyrazole-4-carboxylic acid

HRID 850069
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HRID 850069 반응식
[C:1]([C:3]1[CH:4]=[C:5]([N:16]2[CH:20]=[C:19]([C:21]([O:23]CC)=[O:22])[CH:18]=[N:17]2)[CH:6]=[CH:7][C:8]=1[O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])#[N:2].[OH-].[Na+].O.C(O)(=O)C>C(O)C>[C:1]([C:3]1[CH:4]=[C:5]([N:16]2[CH:20]=[C:19]([C:21]([OH:23])=[O:22])[CH:18]=[N:17]2)[CH:6]=[CH:7][C:8]=1[O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])#[N:2]
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 176Acetic AcidHCID 962WaterHCID 14798Sodium HydroxideHCID 15407384HCID 15407384, 화합물

생성물 1

HCID 154073851-(3-Cyano-4-hexyloxyphenyl)pyrazole-4-carboxylic acid수율 72.6%

시약·촉매·용매 1

HCID 702Ethanol용매

반응 조건

온도
50 °C

실험 절차

To a solution (20 ml) of ethyl 1-(3-cyano-4-hexyloxyphenyl)pyrazole-4-carboxylate (1.8 g) in ethanol was added 1 N aqueous sodium hydroxide solution (6 ml) with stirring, and the mixture was heated at 50° C. for 1 hour. After the completion of the reaction, the reaction mixture was poured into water and the mixture was neutralized with acetic acid. The precipitated crystals were recrystallized from a mixed solution of dioxane and water to give 1.2 g of 1-(3-cyano-4-hexyloxyphenyl)pyrazole-4-carboxylic acid, melting point 164-165° C.

후처리

  1. customAfter the completion of the reaction
  2. customThe precipitated crystals were recrystallized from a mixed solution of dioxane and water

출처 및 근거

ORD 기록
ord-736cd474891d4a8286da4a2ac0a6e2a0
출처 데이터셋
uspto-grants-2000_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06015829

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