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Sodium Carbonate → HCID 178447193, 화합물

HRID 2294916
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HRID 2294916 반응식
O=C1CCC(N2C3C=CC=CC=3NC2=O)CC1.N1(C(OC(C)(C)C)=O)CCNCC1.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C([O-])([O-])=O.[Na+].[Na+].[C:51]([C:55]([N:57]1[CH2:62][CH2:61][N:60]([C@@H:63]2[CH2:68][CH2:67][C@H:66]([N:69]3[C:73]4[CH:74]=[CH:75][CH:76]=[CH:77][C:72]=4[NH:71][C:70]3=[O:78])[CH2:65][CH2:64]2)[CH2:59][CH2:58]1)=[O:56])([CH3:54])([CH3:53])[CH3:52]>C(Cl)(Cl)Cl.C(O)(=O)C.ClCCCl>[C:51]([C:55]([N:57]1[CH2:58][CH2:59][N:60]([C@H:63]2[CH2:64][CH2:65][C@H:66]([N:69]3[C:73]4[CH:74]=[CH:75][CH:76]=[CH:77][C:72]=4[NH:71][C:70]3=[O:78])[CH2:67][CH2:68]2)[CH2:61][CH2:62]1)=[O:56])([CH3:54])([CH3:52])[CH3:53]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

9

반응물 5

HCID 10340Sodium CarbonateHCID 143452tert-Butyl piperazine-1-carboxylateHCID 5049666Sodium triacetoxyborohydrideHCID 214716841,3-dihydro-1-(4-oxocyclohexyl)-2H-benzimidazol-2-oneHCID 178447192HCID 178447192, 화합물

생성물 1

HCID 178447193HCID 178447193, 화합물

시약·촉매·용매 3

HCID 111,2-Dichloroethane용매HCID 176Acetic Acid용매HCID 6212Chloroform용매

실험 절차

A mixture of 1.5 g of 1,3-dihydro-1-(4-oxocyclohexyl)-2H-benzimidazol-2-one, 1.21 g of tert-butyl 1-piperazinecarboxylate, 20 mL of 1,2-dichloroethane, 0.40 mL of glacial acetic acid and 1.79 g of sodium triacetoxyborohydride was stirred at room temperature for 48 h. The reaction mixture was poured into 50 mL chloroform and 50 mL saturated aqueous Na2CO3 and the layers separated. The aqueous layer was extracted with 2×25 mL of chloroform and the combined organic layers dried over MgSO4 and concentrated under reduced pressure. Chromatography of the crude product on silica gel, eluting with 10% methanol in chloroform gave, firstly, 0.63 g of 1,3-dihydro-1-{cis-4-[4-(tert-butylcarbonyl)piperazin-1-yl]-1-cyclohexyl}-2H-benzimidazol-2-one: 1H NMR (400 MHz, CDCl3) 7.47 (m, 1H), 7.25 (m, 1H), 7.05 (m, 2H), 4.55 (m, 1H), 3.54 (m, 4H), 2.49 (m, 6H), 2.27 (s, 0.8H), 2.15 (d, 2H), 1.97 (m, 0.2H), 1.57 (m, 4H), 1.49 (s, 9H). Later fractions gave 1,3-dihydro-1-{trans-4-[4-(tert-butylcarbonyl)piperazin-1-yl]-1-cyclohexyl}-2H-benzimidazol-2-one: 1H NMR (400 MHz, CDCl3) 7.15 (m, 2H), 7.06 (m, 2H), 4.28 (m, 1H), 3.46 (m, 4H), 2.56 (m, 4H), 2.5 (m, 1H), 2.26 (m, 2H), 2.03 (m, 6H), 1.47 (s, 9H).

후처리

  1. customthe layers separated
  2. extractionThe aqueous layer was extracted with 2×25 mL of chloroform
  3. dry with materialthe combined organic layers dried over MgSO4
  4. concentrationconcentrated under reduced pressure
  5. washChromatography of the crude product on silica gel, eluting with 10% methanol in chloroform
  6. customgave

출처 및 근거

ORD 기록
ord-89268bddb2e84cb2bb9f4de60914e200
출처 데이터셋
uspto-grants-1997_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05691323

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