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Sodium Carbonate → HCID 178518595, 화합물

HRID 2294929
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HRID 2294929 반응식
[O:1]=[C:2]1[CH2:7][CH2:6][CH:5]([N:8]2[CH2:13][CH2:12][CH:11]([N:14]3[C:18]4[CH:19]=[CH:20][CH:21]=[CH:22][C:17]=4[NH:16][C:15]3=[O:23])[CH2:10][CH2:9]2)[CH2:4][CH2:3]1.[NH2:24][C:25]1[CH:26]=[N:27][CH:28]=[N:29][CH:30]=1.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C([O-])([O-])=O.[Na+].[Na+]>C(Cl)(Cl)Cl.C(O)(=O)C.ClCCCl>[NH4+:8].[OH-:1].[N:27]1[CH:26]=[C:25]([NH:24][C@H:2]2[CH2:7][CH2:6][C@H:5]([N:8]3[CH2:13][CH2:12][CH:11]([N:14]4[C:18]5[CH:19]=[CH:20][CH:21]=[CH:22][C:17]=5[NH:16][C:15]4=[O:23])[CH2:10][CH2:9]3)[CH2:4][CH2:3]2)[CH:30]=[N:29][CH:28]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

9

반응물 4

HCID 10340Sodium CarbonateHCID 344373Pyrimidin-5-amineHCID 5049666Sodium triacetoxyborohydrideHCID 97968491,3-dihydro-1-{1-[4-oxocyclohex-1-yl]piperidin-4-yl}-2H-benzimidazol-2-one

생성물 2

HCID 14923Ammonium HydroxideHCID 178518595HCID 178518595, 화합물수율 54.3%

시약·촉매·용매 3

HCID 111,2-Dichloroethane용매HCID 176Acetic Acid용매HCID 6212Chloroform용매

실험 절차

A mixture of 0.25 g of 1,3-dihydro-1-{1-[4-oxocyclohex-1-yl]piperidin-4-yl}-2H-benzimidazol-2-one, 0.25 g of 5-aminopyrimidine (H. Bredereck, F. Effenberger and E. H. Schweizer, Chem. Ber. 1962 95, 803-9), 2 mL of 1,2-dichloroethane, 0.5 mL of acetic acid and 0.35 g of sodium triacetoxyborohydride was stirred at room temperature for 48 h. The reaction mixture was poured into 200 mL chloroform and 20 mL saturated aqueous Na2CO3 and the layers separated. The aqueous layer was extracted with 2×25 mL of CHCl3 and the combined organic layers dried over MgSO4 and concentrated under reduced pressure. Preparative TLC on silica gel, eluting with 85:15:5 Et2O:MeOH:conc. NH4OH gave 85 mg of trans-1,3-dihydro-1-{1-[1-(5-pyrimidinylamino)cyclohex-4-yl]piperidin-4-yl}-2H-benzimidazol-2-one: 1H NMR (400 MHz, CDCl3 +5% CD3OD) 8.44 (s, 1H), 8.12 (m, 2H), 7.36 (m, 1H), 7.09 (m, 3H), 4.3 (br m, 1H), 3.65 (br m, 2H), 3.2 (br m, 2H), 2.45 (m, 5H), 2.0 (m, 2H), 1.85 (br m, 4H), 1.65 (m, 4H): Analysis calculated for C22H28N6 O.1.05 H2O.0.25 CHCl3 : C: 60.56, H: 7.17, N: 18.68; found C: 60.81, H: 7.17, N: 18.68, and 75 mg of cis-1,3-dihydro-1-{1-[1-(5-pyrimidinylamino)cyclohex-4-yl]piperidin-4-yl}-2H-benzimidazol-2-one: 1H NMR (400 MHz, CDCl3 +5% CD3OD) 8.43 (s, 1H), 8.08 (m, 2H), 7.65 (m, 1H), 7.1 (m, 3H), 4.6 (br m, 1H), 3.6 (br m, 2H), 3.25 (br m, 2H), 3.0 (br m, 5H), 2.3 (m, 4H), 2.0 (m, 2H), 1.75 (br m, 2H), 1.35 (m, 2H): Analysis calculated for C22H28 N6O.0.25 H2O.0.75 CHCl3 : C: 55.90, H: 5.97, N: 17.16; found C: 56.19, H: 5.96, N: 17.14.

후처리

  1. customthe layers separated
  2. extractionThe aqueous layer was extracted with 2×25 mL of CHCl3
  3. dry with materialthe combined organic layers dried over MgSO4
  4. concentrationconcentrated under reduced pressure
  5. washPreparative TLC on silica gel, eluting with 85:15:5 Et2O

출처 및 근거

ORD 기록
ord-3efbe1d4c4d1490e850618c5423df07e
출처 데이터셋
uspto-grants-1997_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05691323

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