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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Diisopropylamine → 5-(Ethoxycarbonyl)thiophene-2-carboxylic acid

HRID 356720
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HRID 356720 반응식
C(NC(C)C)(C)C.C([Li])CCC.CCCCCC.[S:19]1[CH:23]=[CH:22][CH:21]=[C:20]1[C:24]([OH:26])=[O:25].Cl[C:28]([O:30][CH2:31][CH3:32])=[O:29].C([O-])(O)=O.[Na+]>C1COCC1>[C:28]([C:23]1[S:19][C:20]([C:24]([OH:26])=[O:25])=[CH:21][CH:22]=1)([O:30][CH2:31][CH3:32])=[O:29]
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참가 물질

8

반응물 6

HCID 7912DiisopropylamineHCID 8058HexaneHCID 107002-Thiophenecarboxylic acid2회HCID 10928Ethyl chloroformateHCID 516892Sodium BicarbonateHCID 178418339Butyllithium

생성물 1

HCID 152321235-(Ethoxycarbonyl)thiophene-2-carboxylic acid
수율 75.1%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매2회

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온도
0 °C

실험 절차

To a solution of diisopropylamine (3.6 mL, 25.75 mmol) in 10 mL of THF at -78° C. under argon was added a 1.6M solution of n-butyllithium in hexane (16.1 mL, 25.75 mmol). The mixture was stirred for 15 min, and a solution of 2-thiophenecarboxylic acid 34 (1.5 g, 11.705 mmol) (2-thiophenecarboxylic acid 34 is readily available from Aldrich) in 5 mL of THF was added slowly. The mixture was stirred for 15 min, and ethyl chloroformate (2.7 mL, 28.33 mmol) was added. The mixture was stirred for 30 min at -78° C., and warmed to 0° C. for another 30 min. The reaction mixture was poured into saturated aqueous NaHCO3, and washed with 80% ethyl acetate/hexane. The aqueous layer was acidified with acetic acid and extracted with 80% ethyl acetate/hexane. The combined organic layers were dried over anhydrous MgSO4, filtered, and concentrated to afford a yellow solid. Flash chromatography yielded the desired acid 35 (1.76 g, 75%) as a white solid: m.p. >300° C. The structure of the product was also confirmed using IR, 1H NMR and mass spectroscopy.

후처리

  1. additionwas added slowly
  2. stirringThe mixture was stirred for 15 min
  3. stirringThe mixture was stirred for 30 min at -78° C.
  4. washwashed with 80% ethyl acetate/hexane
  5. extractionextracted with 80% ethyl acetate/hexane
  6. dry with materialThe combined organic layers were dried over anhydrous MgSO4
  7. filtrationfiltered
  8. concentrationconcentrated
  9. customto afford a yellow solid

출처 및 근거

ORD 기록
ord-a5b369dd32924e5ba7480049768ce021
출처 데이터셋
uspto-grants-1998_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05837725

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