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Sodium Carbonate → HCID 178447193、化合物

HRID 2294916
ノート
印刷プレビュー

反応式

HRID 2294916 の反応式
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]
参加物実験手順後処理出典と根拠反応ノート

参加物

9

反応物 5

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

生成物 1

HCID 178447193HCID 178447193、化合物

試薬・触媒・溶媒 3

HCID 111,2-Dichloroethane溶媒HCID 176Acetic Acid溶媒HCID 6212Chloroform溶媒

実験手順

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).

後処理

  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

出典と根拠

ORDレコード
ord-89268bddb2e84cb2bb9f4de60914e200
出典データセット
uspto-grants-1997_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US05691323

反応ノート

読み込み中…

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