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Cesium carbonate → HCID 58014988, 화합물

HRID 1676772
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HRID 1676772 반응식
Cl[C:2]1[N:3]=[CH:4][C:5]2[N:11]([CH3:12])[C:10](=[O:13])[C:9]([F:15])([F:14])[CH2:8][N:7]([CH:16]3[CH2:20][CH2:19][CH2:18][CH2:17]3)[C:6]=2[N:21]=1.[NH2:22][C:23]1[CH:31]=[CH:30][C:26]([C:27]([OH:29])=[O:28])=[C:25]([F:32])[C:24]=1[F:33].[C:34](=O)([O-])[O-].[Cs+].[Cs+]>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.O1CCOCC1>[CH3:34][O:28][C:27](=[O:29])[C:26]1[CH:30]=[CH:31][C:23]([NH:22][C:2]2[N:3]=[CH:4][C:5]3[N:11]([CH3:12])[C:10](=[O:13])[C:9]([F:15])([F:14])[CH2:8][N:7]([CH:16]4[CH2:20][CH2:19][CH2:18][CH2:17]4)[C:6]=3[N:21]=2)=[C:24]([F:33])[C:25]=1[F:32]
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참가 물질

6

반응물 3

HCID 10796Cesium carbonateHCID 27627754-Amino-2,3-difluorobenzoic acidHCID 579555742-Chloro-9-cyclopentyl-7,7-difluoro-5-methyl-8,9-dihydro-5H-pyrimido[4,5-B][1,4]diazepin-6(7H)-one

생성물 1

HCID 58014988HCID 58014988, 화합물수율 76.6%

시약·촉매·용매 2

HCID 167845palladium(II) acetate촉매
HCID 31275
1,4-Dioxane
용매

실험 절차

To a mixture of 0.4997 g (1.578 mmole) of 2-chloro-9-cyclopentyl-7,7-difluoro-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one (VII-20), 0.3539 g (1.891 mmole) of 4-amino-2,3-difluorobenzoic acid, and 25 mL of dioxane, was added 1.028 g (3.152 mmole) of cesium carbonate and 0.0367 g (0.163 mmole) of palladium acetate. The mixture was deoxygenated with argon, 0.2044 g (0.318 mmole) of 1,1′-[1,1′-binaphthalene]-2,2′-diylbis[1,1-diphenyl phosphine was added and the reaction mixture was heated at 100 degrees for 4 hrs. The cooled mixture was concentrated under reduced pressure, dissolved in ethyl acetate, made slightly acidic by the addition of 1M hydrochloric acid, washed with water, brine, filtered and concentrated under reduced pressure. Purification by silica gel chromatography, eluting with dichloromethane-methanol (gradient, 95:5-80:20) gave 0.565 g of 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-2,3-difluoro-benzoic acid methyl ester (I-242) as off-white solid.

후처리

  1. additionwas added
  2. temperaturethe reaction mixture was heated at 100 degrees for 4 hrs
  3. concentrationThe cooled mixture was concentrated under reduced pressure
  4. dissolutiondissolved in ethyl acetate
  5. additionmade slightly acidic by the addition of 1M hydrochloric acid
  6. washwashed with water, brine
  7. filtrationfiltered
  8. concentrationconcentrated under reduced pressure
  9. customPurification by silica gel chromatography
  10. washeluting with dichloromethane-methanol (gradient, 95:5-80:20)

출처 및 근거

ORD 기록
ord-0e894640bd864cce8b37219f0298ed20
출처 데이터셋
uspto-grants-2011_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08003785B2

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