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Dimethylformamide → 4-[6-(2-Dimethylamino-ethylsulfanyl)-benzo[b]naphtho[2,3-d]thiophen-11-yl]-phenol

HRID 1873145
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HRID 1873145 반응식
I[C:2]1[C:14]2[S:13][C:12]3[CH:15]=[CH:16][CH:17]=[CH:18][C:11]=3[C:10]=2[C:9]([C:19]2[CH:24]=[CH:23][C:22]([O:25]S(C)(=O)=O)=[CH:21][CH:20]=2)=[C:8]2[C:3]=1[CH:4]=[CH:5][CH:6]=[CH:7]2.Cl.CN([CH:34]([SH:36])C)C.[OH-].[Na+].[CH3:39][N:40]([CH3:43])[CH:41]=O>>[CH3:39][N:40]([CH3:43])[CH2:41][CH2:34][S:36][C:2]1[C:14]2[S:13][C:12]3[CH:15]=[CH:16][CH:17]=[CH:18][C:11]=3[C:10]=2[C:9]([C:19]2[CH:20]=[CH:21][C:22]([OH:25])=[CH:23][CH:24]=2)=[C:8]2[C:3]=1[CH:4]=[CH:5][CH:6]=[CH:7]2
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참가 물질

5

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HCID 6228DimethylformamideHCID 14798Sodium HydroxideHCID 15481264Methanesulfonic acid 4-(6-Iodo-benzo[b]naphtho[2,3-d]thiophen-11-yl)-phenyl esterHCID 22036395N,N-dimethylaminoethanethiol hydrochloride

생성물 1

HCID 186877714-[6-(2-Dimethylamino-ethylsulfanyl)-benzo[b]naphtho[2,3-d]thiophen-11-yl]-phenol수율 87%

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온도
155 °C

실험 절차

To a suspension of methanesulfonic acid 4-(6-iodo-benzo[b]naphtho[2,3-d]thiophen-11-yl)-phenyl ester (1.00 g, 1.89 mmol), dimethylaminoethanethiol hydrochloride (0.614 g, 4.34 mmol, 2.3 eq) and copper I oxide (0.316 g, 8.69 mmol, 1.17 eq) in anhydrous N,N-dimethylformamide (24 mL) was added finely ground sodium hydroxide (0.348 g, 8.69 mmol, 4.6 eq) at room temperature in a pressure vessel. The vessel was flushed with argon, sealed and heated with stirring at 155° C. (oil bath) for 6 hours and at ambient temperature for 12 hours. The reaction mixture was poured into water (100 mL) and extracted with ether. The solid which remained as a suspension in the aqueous phase was filtered. The filtrate was extracted once more with ether. The extracts were combined and silica gel was added. The solvents were removed and the adsorbate was flash chromatographed (gradient 94/6-95/5) methylene chloride:isopropanol to give the title compound as a solid (0.707 g, 87%): NMR (DMSO-d6); δ 9.83 (s, 1H, OH), 8.65 (d, J=8 Hz, 1H), 7.98 (d, J=8 Hz, 1H), 7.71 (ddd, J=8, 7, 1 Hz, 1H), 7.61 (d, J=8 Hz, 1H), 7.50 (ddd, J=8, 7, 1 Hz, 1H), 7.43 (ddd, J=8, 7, 1 Hz, 1H), 7.21-7.05 (m, 3H), 7.08-7.04 (m, 2H), 6.73 (d, J=8 Hz, 1H), 3.35-3.27 (m,), 3.10 (t, J=6 Hz, 2H), 2.21-2.08 (broad singlet, 6H); MS(EI): [M+] 429.

후처리

  1. customThe vessel was flushed with argon
  2. customsealed
  3. temperatureheated
  4. waitat ambient temperature for 12 hours
  5. additionThe reaction mixture was poured into water (100 mL)
  6. extractionextracted with ether
  7. filtrationwas filtered
  8. extractionThe filtrate was extracted once more with ether
  9. additionsilica gel was added
  10. customThe solvents were removed
  11. customchromatographed (gradient 94/6-95/5) methylene chloride

출처 및 근거

ORD 기록
ord-9e9e5091fa314c07a3632e934423c860
출처 데이터셋
uspto-grants-2000_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06110962

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