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Acetic Acid → HCID 68985012, 화합물

HRID 1467895
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HRID 1467895 반응식
[NH2:1][CH:2]([CH2:29][CH:30]([CH3:32])[CH3:31])[CH2:3][C:4]([N:6]1[CH2:11][CH2:10][CH:9]([N:12]([CH:26]2[CH2:28][CH2:27]2)[S:13]([C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([C:22]([F:25])([F:24])[F:23])[CH:17]=2)(=[O:15])=[O:14])[CH2:8][CH2:7]1)=[O:5].C=O.[BH-](OC(C)=O)(OC(C)=O)O[C:37](C)=O.[Na+].CC(O)=O>CO.CCOC(C)=O>[CH:26]1([N:12]([CH:9]2[CH2:10][CH2:11][N:6]([C:4](=[O:5])[CH2:3][CH:2]([NH:1][CH3:37])[CH2:29][CH:30]([CH3:32])[CH3:31])[CH2:7][CH2:8]2)[S:13]([C:16]2[CH:21]=[CH:20][CH:19]=[C:18]([C:22]([F:25])([F:24])[F:23])[CH:17]=2)(=[O:15])=[O:14])[CH2:27][CH2:28]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 176Acetic AcidHCID 712FormaldehydeHCID 5049666Sodium triacetoxyborohydrideHCID 68984655HCID 68984655, 화합물

생성물 1

HCID 68985012HCID 68985012, 화합물

시약·촉매·용매 2

HCID 887Methanol용매
HCID 8857
Ethyl Acetate
용매

실험 절차

To a solution of a compound 46 prepared in Example 30 (0.325 mmol, 150 mg) in methanol (5 mL) was added paraformaldehyde (0.813 mmol, 25 mg), Na(OAc)3BH and a catalytic amount of HOAc at room temperature. The resulting mixture was kept stirred at room temperature overnight. Then EtOAc (20 mL) was added to the mixture and the mixture was washed with saturated NaHCO3 and water. The organic layer was dried over Na2SO4 and concentrated to dryness. The crude product was purified through a column of silica gel with a gradient of 0% to 50% MeOH in DCM to afford the title compound 47. 1H NMR (CDCl3): δ 8.21 (d, J=8.1 Hz, 1H), 8.18 (br s, 1H), 8.04 (d, J=8.1 Hz, 1H), 7.87 (dd, J=7.84, 7.86 Hz, 1H), 4.63 (m, 1H), 4.15 (m, 1H), 3.95 (m, 1H), 3.52 (m, 1H), 3.23 (m, 1H), 2.90-2.55 (m, 3H), 2.70 (d, J=5.4 Hz, 3H), 2.07-1.54 (m, 8H), 1.00 (m, 6H), 0.92 (m, 2H), 0.80 (m, 2H). LC: 100%. MS: 490.2 (M+1).

후처리

  1. customat room temperature
  2. washthe mixture was washed with saturated NaHCO3 and water
  3. dry with materialThe organic layer was dried over Na2SO4
  4. concentrationconcentrated to dryness
  5. customThe crude product was purified through a column of silica gel with a gradient of 0% to 50% MeOH in DCM

출처 및 근거

ORD 기록
ord-3693db6d0eb34cf7a22cb2b3719fab7f
출처 데이터셋
uspto-grants-2015_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09000174B2

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