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Hydrochloric Acid → 4-Chloro-2-(phenylamino)benzoic acid

HRID 1887778
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HRID 1887778 반응식
Br[C:2]1[CH:10]=[C:9]([Cl:11])[CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].C(=O)([O-])[O-].[K+].[K+].[NH2:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1.Cl>C(OCCO)C.[Cu].[Cu-]=O.O.C(OCC)(=O)C.CCCCCC>[Cl:11][C:9]1[CH:8]=[CH:7][C:3]([C:4]([OH:6])=[O:5])=[C:2]([NH:18][C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[CH:10]=1
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참가 물질

11

반응물 4

HCID 313Hydrochloric AcidHCID 6115AnilineHCID 11430Potassium CarbonateHCID 331262-Bromo-4-chlorobenzoic acid

생성물 1

HCID 6153344-Chloro-2-(phenylamino)benzoic acid수율 72.4%

시약·촉매·용매 6

HCID 23978Copper촉매
HCID 178419072
HCID 178419072, 화합물
촉매
HCID 962Water용매
HCID 8058Hexane용매
HCID 8076Glycol monoethyl ether용매
HCID 8857Ethyl Acetate용매

반응 조건

온도
135 °C

실험 절차

To a solution of 2-bromo-4-chlorobenzoic acid (25.0 g, 106.0 mmol) in 2-ethoxyethanol (40 mL) was added copper powder (0.74 g, 11.6 mmol), copper (I) oxide (0.76 g, 5.3 mmol), potassium carbonate (15.8 g, 114.0 mmol) at room temperature under nitrogen. After stirring for 5 min., aniline (11.2 mL, 124 mmol) was added to the reaction mixture. The reaction mixture was heated at 135° C. for 48 hr. Completion of the reaction was confirmed by silica TLC (mobile phase; hexane:ethyl acetate=1:1; Rf=0.6). The reaction mixture was cooled to room temperature, poured into water (30 mL) with continuous shaking and was acidified with aqueous 1N HCl to form a precipitate. The mixture was stirred overnight at room temperature. The mixture was filtered through a sintered glass funnel. The solids were washed with water (2×100 mL). The obtained solids were dried under high vacuum to yield 4-chloro-2-phenylamino-benzoic acid (19.0 g, 72.3% crude yield). The crude product was used in the next step without further purification. MS calcd. for C13H10ClNO2 [(M+H)+] 247, obsd. 248.

후처리

  1. temperatureThe reaction mixture was cooled to room temperature
  2. stirringwith continuous shaking
  3. customto form a precipitate
  4. stirringThe mixture was stirred overnight at room temperature
  5. filtrationThe mixture was filtered through a sintered glass funnel
  6. washThe solids were washed with water (2×100 mL)
  7. customThe obtained solids were dried under high vacuum

출처 및 근거

ORD 기록
ord-7ea6a7c86e68421298eaa6618c2fac53
출처 데이터셋
uspto-grants-2013_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08501732B2

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