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Toluene → HCID 59380815, 화합물

HRID 1697041
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HRID 1697041 반응식
[NH2:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[NH2:14].[CH:15]12[CH2:24][CH:19]3[CH2:20][CH:21]([CH2:23][CH:17]([CH2:18]3)[C:16]1=O)[CH2:22]2.[CH3:26][C:27]1[CH:28]=[CH:29][C:30](S(O)(=O)=O)=[CH:31][CH:32]=1.[H-].[H-].[H-].[H-].[Li+].[Al+3].[C:43]1(C)[CH:48]=CC=C[CH:44]=1>C1COCC1>[CH:15]12[CH2:24][CH:19]3[CH2:20][CH:21]([CH2:23][CH:17]([CH2:18]3)[CH:16]1[NH:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[NH:14][CH:26]1[CH:43]3[CH2:48][CH:31]4[CH2:30][CH:29]([CH2:28][CH:27]1[CH2:32]4)[CH2:44]3)[CH2:22]2
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참가 물질

7

반응물 5

HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 150752,2'-BiphenyldiamineHCID 64151AdamantanoneHCID 21226445Aluminium lithium hydride

생성물 1

HCID 59380815HCID 59380815, 화합물수율 100%

시약·촉매·용매 1

HCID 8028
Tetrahydrofuran
용매

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온도
50 °C

실험 절차

614 mg (3.33 mmol) of 2,2′-diaminobiphenyl 9H and 1 g (6.65 mmol) 2-adamantanone were combined with 1% (per amine functionality) pTsOH in a Dean-Stark apparatus. The reagents were dissolved in approximately 200 mL toluene and refluxed for 72 hours. The solvent was stripped off, and 122 mg (3.22 mmol) LAH was added, followed by approximately 200 mL THF. The reaction flask was heated to 50° C. for 2 h, followed by a careful quenching with approximately 100 mL water and 10 mL sat. NH4Cl. The resulting slurry was filtered through a plug of celite, and the plug washed with CH2Cl2. The aqueous layer was washed once with CH2Cl2 (approx. 100 mL). The organic layers were combined, dried over MgSO4, filtered, and the solvent was removed, yielding pure 92-Ad in 100% yield. 1H NMR (CDCl3, 297K, 300 MHz): δ 1.38-1.97 (m, 28H), δ 3.54 (s, 2H), δ 4.05 (s, 2H), δ 6.71 (m, 4H), δ 7.11 (m, 2H), δ 7.22 (m, 2H). 13C NMR (CDCl3, 297K, 300 MHz): δ 27.4, δ 27.6, δ 31.3, δ 31.7, δ 31.8, δ 32.2, δ 37.4, δ 37.8, δ 37.9, δ 56.7, δ 111.1, δ 116.3, δ 124.0, δ 129.1, δ 130.9, δ 145.3. HRMS (ESI-EMM): m/z=453.3247 ([M+H]+), Δ=5 ppm.

후처리

  1. temperaturerefluxed for 72 hours
  2. customa careful quenching with approximately 100 mL water and 10 mL sat. NH4Cl
  3. filtrationThe resulting slurry was filtered through a plug of celite
  4. washthe plug washed with CH2Cl2
  5. washThe aqueous layer was washed once with CH2Cl2 (approx. 100 mL)
  6. dry with materialdried over MgSO4
  7. filtrationfiltered
  8. customthe solvent was removed
  9. customyielding pure 92-Ad in 100% yield

출처 및 근거

ORD 기록
ord-cd081d7dc01b4c168969db18f035673b
출처 데이터셋
uspto-grants-2012_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08163900B2

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