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4-Bromophenacyl bromide → 1-(4-Bromophenyl)-2-[(3-methoxyphenyl)sulfanyl]ethan-1-one

HRID 270384
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HRID 270384 반응식
[SH:1][C:2]1[CH:3]=[C:4]([O:8][CH3:9])[CH:5]=[CH:6][CH:7]=1.[OH-].[K+].[CH:12]1[C:17]([C:18]([CH2:20]Br)=[O:19])=[CH:16][CH:15]=[C:14]([Br:22])[CH:13]=1.CCOC(C)=O>C(O)C.O>[Br:22][C:14]1[CH:15]=[CH:16][C:17]([C:18](=[O:19])[CH2:20][S:1][C:2]2[CH:7]=[CH:6][CH:5]=[C:4]([O:8][CH3:9])[CH:3]=2)=[CH:12][CH:13]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 74544-Bromophenacyl bromideHCID 8857Ethyl AcetateHCID 14797Potassium HydroxideHCID 849893-Methoxybenzenethiol

생성물 1

HCID 154226451-(4-Bromophenyl)-2-[(3-methoxyphenyl)sulfanyl]ethan-1-one수율 105.6%

시약·촉매·용매 2

HCID 702Ethanol용매
HCID 962Water용매

실험 절차

10.09 g (70.5 mmol) 3-mercaptoanisole were added to a freshly prepared solution of 4.6 g (70.5 mmol) KOH in 75 ml ethanol and 30 ml water. Over a period of 30 min, 20.0 g (70.5 mmol) 2,4-dibromoacetophenone in 150 EtOAc were added at 0° C. and the solution was stirred at RT over night. The suspension was concentrated and dissolved in EtOAc and water. The inorganic phase was extracted with EtOAC, the combined organic phases were washed with water and brine and dried over Na2SO4. Evaporation yielded 25.1 g (quant) 1-(4-Bromo-phenyl)-2-(3-methoxy-phenylsulfanyl)-ethanone as white crystalline, MS: 336(M, 1Br). (In analogy to Jones, Charles D.; Jevnikar, Mary G.; Pike, Andrew J.; Peters, Mary K.; Black, Larry J.; Thompson, Allen R.; Falcone, Julie F.; Clemens, James A. Antiestrogens. 2. Structure-activity studies in a series of 3-aroyl-2-arylbenzo[b]thiophene derivatives leading to [6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl]-[4-[2-(1-piperidinyl)ethoxy]phenyl]methanone hydrochloride (LY 156758), a remarkably effective estrogen antagonist with only minimal intrinsic estrogenicity. J. Med. Chem. (1984), 27(8), 1057-66.)

후처리

  1. concentrationThe suspension was concentrated
  2. dissolutiondissolved in EtOAc
  3. extractionThe inorganic phase was extracted with EtOAC
  4. washthe combined organic phases were washed with water and brine
  5. dry with materialdried over Na2SO4
  6. customEvaporation

출처 및 근거

ORD 기록
ord-c03c60d8f8084edeaa17ce7d2200560c
출처 데이터셋
uspto-grants-2008_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07449483B2

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