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

Acetyl chloride → 2-Acetyl-3-bromo-benzothiophene

HRID 2036595
노트
인쇄 미리보기

반응식

HRID 2036595 반응식
[CH:1]1[CH:6]=[C:5]2[C:7]([Br:10])=[CH:8][S:9][C:4]2=[CH:3][CH:2]=1.[Cl-].[Al+3].[Cl-].[Cl-].[C:15](Cl)(=[O:17])[CH3:16]>C(Cl)Cl>[Br:10][C:7]1[C:5]2[CH:6]=[CH:1][CH:2]=[CH:3][C:4]=2[S:9][C:8]=1[C:15](=[O:17])[CH3:16]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 6367Acetyl chlorideHCID 123250Benzo(b)thiophene, 3-bromo-HCID 6451240Aluminum(III) Chloride

생성물 1

HCID 107061652-Acetyl-3-bromo-benzothiophene

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

To a mixture of 3-bromothianaphthene (Sigma-Aldrich Chemical Company, 2.000 mL, 9.39 mmol) and aluminum chloride (1.002 mL, 9.39 mmol) in DCM (50 mL) cooled with an ice bath was added acetyl chloride (0.667 mL, 9.39 mmol) via syringe, in one minute. The resulting intense orange reaction solution was stirred at rt for 1 h. The reaction was poured into ice and partitioned between water and DCM. The aqueous layer was extracted with DCM, and the combined extracts were washed with 50 mL 5% aqueous sodium hydroxide, 50 mL brine, and stirred over anhydrous magnesium sulfate, filtered and concentrated under reduced pressure to give 1-(3-bromobenzo[b]thiophen-2-yl)ethanone as a pale yellow solid. 1H NMR (400 MHz, DMSO-d6) δ 2.77 (s, 3H), 7.57-7.65 (m, 2H), 7.95 (dd, J=7.7, 1.1 Hz, 1H), 8.10 (dd, J=7.1, 1.3 Hz, 1H); LC-MS (ESI)] m/z 254.9 [M+H]+.

후처리

  1. temperaturecooled with an ice bath
  2. additionThe reaction was poured into ice
  3. custompartitioned between water and DCM
  4. extractionThe aqueous layer was extracted with DCM
  5. washthe combined extracts were washed with 50 mL 5% aqueous sodium hydroxide, 50 mL brine
  6. stirringstirred over anhydrous magnesium sulfate
  7. filtrationfiltered
  8. concentrationconcentrated under reduced pressure

출처 및 근거

ORD 기록
ord-d89f4ca5f2cf48d385baab2880447723
출처 데이터셋
uspto-grants-2013_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08575183B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트