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1-Methylpiperazine → 5-(4-Methylpiperazin-1-yl)-1H-indole

HRID 8337
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인쇄 미리보기

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HRID 8337 반응식
Br[C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([Si](C(C)C)(C(C)C)C(C)C)[CH:6]=[CH:5]2.[CH3:21][N:22]1[CH2:27][CH2:26][NH:25][CH2:24][CH2:23]1.CC([O-])(C)C.[Na+]>CC([O-])=O.CC([O-])=O.[Pd+2].P(C(C)(C)C)(C(C)(C)C)C(C)(C)C.C1(C)C(C)=CC=CC=1>[CH3:21][N:22]1[CH2:27][CH2:26][N:25]([C:2]2[CH:3]=[C:4]3[C:8](=[CH:9][CH:10]=2)[NH:7][CH:6]=[CH:5]3)[CH2:24][CH2:23]1
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참가 물질

7

반응물 3

HCID 531671-MethylpiperazineHCID 27946525-Bromo-1-(triisopropylsilyl)-1H-indoleHCID 23676156Sodium t-butoxide

생성물 1

HCID 220154055-(4-Methylpiperazin-1-yl)-1H-indole수율 57%

시약·촉매·용매 3

HCID 83681Tris(1,1-dimethylethyl)phosphine촉매
HCID 167845
palladium(II) acetate
촉매
HCID 7237O-Xylene용매

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온도
130 °C

실험 절차

5-Bromo-1-triisopropylsilyl-indole (5.8 g, 16.4 mmol), N-methylpiperazine (1.8 g, 18 numol), NaOt-Bu (2.2 g, 23 mmol), Pd(OAc)2 (37 mg, 0.16 mmol), Pt-Bu3 (66 mg, 0.33 nmmol) and xylene (30 mL) were mixed and heated to 130° C. under stirring for 5 h. The crude material was chromatographed on a silica column using DCM/MeOH 95/5 as eluent. Concentration of the main fractions left 5.6 g of an oil which was dissolved in MeCN (10 mL), 20 mL of a 1 M solution of tetrabutylammonium fluoride in THF was added and the mixture left over-night. The reaction mixture was put on a silica column and eluted with DCM/MeOH 95/5 to give the product as an oil (2 g, 9.3 mmol; yield 57 %) 1H NMR (CDCl3) δ 2.37 (3 H, s), 2.64 (4 H, t, J=5), 3.19 (4 H, t, J=5), 6.44–6.48 (1 H, m), 6.95–7.00 (1 H, m), 7.16 (1 H, d, J=3), 7.18 (1 H, d, J=2), 7.29 (1H, d, J=9) and 8.12 (1 H, bs).

후처리

  1. customThe crude material was chromatographed on a silica column
  2. waitConcentration of the main fractions left 5.6 g of an oil which
  3. dissolutionwas dissolved in MeCN (10 mL)
  4. addition20 mL of a 1 M solution of tetrabutylammonium fluoride in THF was added
  5. waitthe mixture left over-night
  6. washeluted with DCM/MeOH 95/5

출처 및 근거

ORD 기록
ord-5d321082273d4ef781dc02b74cee9d6a
출처 데이터셋
uspto-grants-2006_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07087750B2

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