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Sodium Carbonate → methyl 6-(2-fluorocyclohexyl)-5-(2-formylphenyl)-4-(2-methoxy-2-oxoethyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate

HRID 1008992
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HRID 1008992 반응식
Br[C:2]1[N:6]([CH2:7][C:8]([O:10][CH3:11])=[O:9])[C:5]2[CH:12]=[C:13]([C:15]([O:17][CH3:18])=[O:16])[S:14][C:4]=2[C:3]=1[CH:19]1[CH2:24][CH2:23][CH2:22][CH2:21][CH:20]1[F:25].[CH:26]([C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=1B(O)O)=[O:27].C([O-])([O-])=O.[Na+].[Na+]>O1CCOCC1.CCOC(C)=O.[Cl-].[Na+].O.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[F:25][CH:20]1[CH2:21][CH2:22][CH2:23][CH2:24][CH:19]1[C:3]1[C:4]2[S:14][C:13]([C:15]([O:17][CH3:18])=[O:16])=[CH:12][C:5]=2[N:6]([CH2:7][C:8]([O:10][CH3:11])=[O:9])[C:2]=1[C:29]1[CH:30]=[CH:31][CH:32]=[CH:33][C:28]=1[CH:26]=[O:27]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 3

HCID 10340Sodium CarbonateHCID 2921892-Formylphenylboronic acidHCID 67298644HCID 67298644, 화합물

생성물 1

HCID 86629784methyl 6-(2-fluorocyclohexyl)-5-(2-formylphenyl)-4-(2-methoxy-2-oxoethyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate수율 56%

시약·촉매·용매 4

HCID 178418397
HCID 178418397, 화합물
촉매
HCID 8857Ethyl Acetate용매
HCID 312751,4-Dioxane용매
HCID 57417360Sodium chloride; water용매

실험 절차

A solution (0.1 M) of methyl 5-bromo-6-(2-fluorocyclohexyl)-4-(2-methoxy-2-oxoethyl)-4H-thieno[3,2-b]pyrrole-2-carboxylate in dioxane was treated with (2-formylphenyl)boronic acid (1.5 eq.); aq. Na2CO3-solution (2 N, 8.5 eq.) was added and the solution was degassed, and then treated with Pd(PPh3)4 (0.1 eq.). A balloon with argon was installed, the mixture was placed in an oil bath preheated at 115° C. and stirred for 30 min, then cooled and diluted with EtOAc and brine. The organic phase was separated, washed with 1N HCl and brine, dried and concentrated. The residue was purified by chromatography (PE/EtOAc) to give the title compound (56%); some starting material (21%) was recovered. 1H-NMR (400 MHz, CDCl3, 300K, δ) 9.78&9.85* (bs, 1H.), 8.06 (dd, 1H, J 7.7, 1.3), 7.67 (s, 1H), 7.73-7.60 (m, 2H), 7.44 (bd, 1H, J 7.5), 4.50&4.55* (d, 1H, J 17.8&17.6), 4.44&4.48* (d, 1H, J 17.8&17.6), 4.73-4.49 (m, 1H), 3.91 (s, 3H), 3.62&3.63* (s, 3H), 2.42-2.34 (m, 1H), 2.18-2.12 (m, 1H), 1.83-1.07 (m, 7H); MS (ES+) m/z 458 (M+H)+. * Refers to two different conformers.

후처리

  1. customthe solution was degassed
  2. customthe mixture was placed in an oil bath
  3. custompreheated at 115° C.
  4. temperaturecooled
  5. customThe organic phase was separated
  6. washwashed with 1N HCl and brine
  7. customdried
  8. concentrationconcentrated
  9. customThe residue was purified by chromatography (PE/EtOAc)

출처 및 근거

ORD 기록
ord-6c3efd7dd30e40d39e6807c564465ed7
출처 데이터셋
uspto-grants-2011_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07973026B2

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