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Morpholine → Methyl 2-chloro-4-morpholin-4-ylbenzoate

HRID 1179231
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HRID 1179231 반응식
[CH3:1][O:2][C:3](=[O:12])[C:4]1[CH:9]=[CH:8][C:7](F)=[CH:6][C:5]=1[Cl:11].[NH:13]1[CH2:18][CH2:17][O:16][CH2:15][CH2:14]1.C(=O)([O-])[O-].[K+].[K+]>CN1CCCC1=O.C(OCC)(=O)C>[CH3:1][O:2][C:3](=[O:12])[C:4]1[CH:9]=[CH:8][C:7]([N:13]2[CH2:18][CH2:17][O:16][CH2:15][CH2:14]2)=[CH:6][C:5]=1[Cl:11]
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참가 물질

6

반응물 3

HCID 8083MorpholineHCID 11430Potassium CarbonateHCID 2763551Methyl 2-Chloro-4-fluorobenzoate

생성물 1

HCID 3330270Methyl 2-chloro-4-morpholin-4-ylbenzoate수율 65%

시약·촉매·용매 2

HCID 8857Ethyl Acetate용매HCID 13387N-methyl-2-pyrrolidone
용매

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온도
120 °C

실험 절차

A mixture of 2-chloro-4-fluoro-benzoic acid methyl ester (3.51 g, 18.6 mmol), morpholine (1.95 mL, 22.3 mmol) and potassium carbonate (5.12 g, 37.1 mmol) in N-methylpyrrolidinone (20 mL) was stirred at 120° C. for 5 h. The reaction was cooled, diluted with ethyl acetate and filtered through Celite. The filtrate was washed four times with water, once with brine, was dried (sodium sulfate) and evaporated. Purification by flash chromatography (SiO2) eluted with 2:8 ethyl acetate:hexanes to provide 2-chloro-4-morpholin-4-yl-benzoic acid methyl ester (3.08 g, 65% yield) as a white solid. 1H-NMR (CDCl3, 500 MHz) 7.79 (d, 1H), 6.81 (d, 1H), 6.67 (dd, 1H), 3.81 (s, 3H), 3.78 (m, 4H), 3.20 (m, 4H) ppm; MS (FIA) 256.1 (M+H); HPLC (Method A) 3.275 min.

후처리

  1. temperatureThe reaction was cooled
  2. filtrationfiltered through Celite
  3. washThe filtrate was washed four times with water
  4. dry with materialonce with brine, was dried (sodium sulfate)
  5. customevaporated
  6. customPurification by flash chromatography (SiO2)
  7. washeluted with 2:8 ethyl acetate

출처 및 근거

ORD 기록
ord-1b024038256f47d5aeeb8ec9d4f386f8
출처 데이터셋
uspto-grants-2007_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07279469B2

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