홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Sodium Hydroxide → 5-Bromothiophene 2-Oxoacetic Acid

HRID 2260924
노트
인쇄 미리보기

반응식

HRID 2260924 반응식
[Br:1][C:2]1[S:6][C:5]([C:7](=[O:13])[C:8]([O:10]CC)=[O:9])=[CH:4][CH:3]=1.[OH-].[Na+]>C1COCC1.CO.O>[Br:1][C:2]1[S:6][C:5]([C:7](=[O:13])[C:8]([OH:10])=[O:9])=[CH:4][CH:3]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 2

HCID 14798Sodium HydroxideHCID 2736376Ethyl (5-bromothiophen-2-yl)(oxo)acetate

생성물 1

HCID 144525865-Bromothiophene 2-Oxoacetic Acid수율 95.2%

시약·촉매·용매 3

HCID 887Methanol용매HCID 962Water용매HCID 8028Tetrahydrofuran용매

실험 절차

Ethyl 2-(5-bromothien-2-yl)glyoxalate (45.6 g, 173 mmol) from Step A was dissolved in a mixture of 100 mL THF, 100 mL methanol, and 300 mL water, then treated with 10 N NaOH (26 ml, 260 mmol) at room temperature for 20 hours. Volatile solvents were removed by rotary evaporation. The residue was dissolved in 2 L water and extracted with diethyl ether (250 mL). The aqueous layer was acidified to pH 1 with 6 N HCl, and extracted with diethyl ether (3×300 mL). The combined diethyl ether extracts were dried over Na2SO4 and concentrated in vacuo to yield 2-(5-bromothien-2-yl)glyoxalic acid, Intermediate 1 (38.7 g, 95%). The product was then recrystallized from diethyl ether. m.p. 119-120° C.; MS (M−H) 235.1; 1H NMR (300 MHz, CDCl3) d 9.00 (1H, br s), 8.15 (1H, d, J=4.2 Hz), 7.16 (1H, d, J=4.2 Hz); 13C NMR (75 MHz, CDCl3) d 173.80, 159.58, 140.14, 137.17, 132.58, 130.48; IR (KBr) 3326, 3124, 1756, 1634, 1415, 1363, 1308, 1253cm−1;

후처리

  1. customVolatile solvents were removed by rotary evaporation
  2. dissolutionThe residue was dissolved in 2 L water
  3. extractionextracted with diethyl ether (250 mL)
  4. extractionextracted with diethyl ether (3×300 mL)
  5. dry with materialThe combined diethyl ether extracts were dried over Na2SO4
  6. concentrationconcentrated in vacuo

출처 및 근거

ORD 기록
ord-a4950dd324504cfea3ecbf55a917da09
출처 데이터셋
uspto-grants-2010_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07846671B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트