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Toluene → 4-[2-(2-Hydroxy-ethoxy)ethyl-piperazin-1-yl}-(2-iodophenyl)-methanone

HRID 251394
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HRID 251394 반응식
[I:1][C:2]1[CH:10]=[CH:9][CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=O.C1(C)C=CC=CC=1.S(Cl)(Cl)=[O:19].OCCOCC[N:28]1[CH2:33][CH2:32][NH:31][CH2:30][CH2:29]1.[CH2:34]1[CH2:38][O:37][CH2:36][CH2:35]1>O.C(N(CC)CC)C>[OH:19][CH2:35][CH2:36][O:37][CH2:38][CH2:34][CH:30]1[CH2:29][NH:28][CH2:33][CH2:32][N:31]1[C:9]1[CH:8]=[CH:7][C:3]([CH:4]=[O:6])=[C:2]([I:1])[CH:10]=1
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참가 물질

8

반응물 5

HCID 1140Toluene2회HCID 69412-Iodobenzoic acidHCID 8028TetrahydrofuranHCID 24386Thionyl ChlorideHCID 1394361-[2-(2-Hydroxyethoxy)ethyl]piperazine

생성물 1

HCID 866124904-[2-(2-Hydroxy-ethoxy)ethyl-piperazin-1-yl}-(2-iodophenyl)-methanone

시약·촉매·용매 2

HCID 962Water용매2회
HCID 8471Triethylamine용매

실험 절차

2-iodobenzoic acid (20 g, 0.081 mol), toluene (20 ml) and thionyl chloride (30 ml, 0.41 mol) were charged into a reaction flask. The mixture was stirred and refluxed for 11 h. Toluene (40 ml) was added and the solvent and excess of thionylchloride were distilled off under reduced pressure. The process was repeated with 20 ml of toluene. The residue of 2-iodobenzoyl chloride was dissolved into THF (20 ml). 1-[2-(hydroxyethoxy)-ethyl]-piperazine (14.1 g, 0.081 mol), THF (100 ml), water (50 ml) and triethylamine (12.3 ml) were added into a reaction flask and stirred at icewater bath temperature. The previously prepared 2-iodobenzoyl chloride THF solution was slowly added to the reaction mixture. The temperature was kept below 20° C. during the addition. The reaction mixture was allowed to warm to room temperature and stirred 2 h at ambient temperature. 50 ml of water was added and THF was removed by distillation. The pH of the solution was checked and adjusted to 9-10. The water was extracted three times with dichloromethane (50 ml). The combined organic phase was evaporated yielding {4-[2-(2-hydroxy-ethoxy)ethyl-piperazin-1-yl}-(2-iodophenyl)-methanone as a yellowish oil, which was used without further purification. Yield 31 g.

후처리

  1. temperaturerefluxed for 11 h
  2. distillationthe solvent and excess of thionylchloride were distilled off under reduced pressure
  3. dissolutionThe residue of 2-iodobenzoyl chloride was dissolved into THF (20 ml)
  4. stirringstirred at icewater bath temperature
  5. additionThe temperature was kept below 20° C. during the addition
  6. stirringstirred 2 h at ambient temperature
  7. customTHF was removed by distillation
  8. extractionThe water was extracted three times with dichloromethane (50 ml)
  9. customThe combined organic phase was evaporated

출처 및 근거

ORD 기록
ord-d10ecaf510324ca9b05cc64ee8fd0311
출처 데이터셋
uspto-grants-2011_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07863441B2

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