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Borane → 4-Acetyl-5'-fluoro-2'-methoxy-biphenyl-2-carboxylic acid methyl ester

HRID 2422908
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HRID 2422908 반응식
[CH2:1](C1C=C(C(=O)C)C=CC=1C1C=C(F)C=CC=1OC)C=C.C(C1C=C(C(OC)=O)C(O)=CC=1)(=O)C.CON=C(C1C=CC(C2C=C(F)C=CC=2OC)=C(CCC)C=1OC)C.[CH3:61][O:62][C:63]([C:65]1[C:66]([C:74]2[CH:79]=[C:78]([F:80])[CH:77]=[CH:76][C:75]=2[O:81][CH3:82])=[CH:67][CH:68]=[C:69]([C:71](=[O:73])[CH3:72])[CH:70]=1)=[O:64].[CH3:83][O:84][C:85]([C:87]1[C:88]([C:98]2[CH:103]=[C:102]([F:104])[CH:101]=[CH:100][C:99]=2[O:105][CH3:106])=[CH:89][CH:90]=[C:91]([C:93](=[N:95][O:96][CH3:97])[CH3:94])[CH:92]=1)=[O:86].B>O1CCCC1>[CH3:61][O:62][C:63]([C:65]1[C:66]([C:74]2[CH:79]=[C:78]([F:80])[CH:77]=[CH:76][C:75]=2[O:81][CH3:82])=[CH:67][CH:68]=[C:69]([C:71](=[O:73])[CH3:72])[CH:70]=1)=[O:64].[CH3:83][O:84][C:85]([C:87]1[C:88]([C:98]2[CH:103]=[C:102]([F:104])[CH:101]=[CH:100][C:99]=2[O:105][CH3:106])=[CH:89][CH:90]=[C:91]([C:93](=[N:95][O:96][CH3:97])[CH3:94])[CH:92]=1)=[O:86].[CH2:83]([O:84][C:85]([C:87]1[C:88]([C:98]2[CH:103]=[C:102]([F:104])[CH:101]=[CH:100][C:99]=2[O:105][CH3:106])=[CH:89][CH:90]=[C:91]([CH:93]([NH2:95])[CH3:94])[CH:92]=1)=[O:86])[CH3:1]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

10

반응물 6

HCID 6331BoraneHCID 85444Methyl 5-acetylsalicylateHCID 672452181-(2-Allyl-5'-fluoro-2'-methoxy-biphenyl-4-yl)-ethanoneHCID 672453494-Acetyl-5'-fluoro-2'-methoxy-biphenyl-2-carboxylic acid methyl esterHCID 873230641-(5'-Fluoro-3,2'-dimethoxy-2-propyl-biphenyl-4-yl)-ethanone o-methyl-oxime
HCID 131728957
5'-Fluoro-2'-methoxy-4-(1-methoxyimino-ethyl)-biphenyl-2-carboxylic acid methyl ester

생성물 3

HCID 672453494-Acetyl-5'-fluoro-2'-methoxy-biphenyl-2-carboxylic acid methyl esterHCID 672468504-(1-Amino-ethyl)-5'-fluoro-2'-methoxy-biphenyl-2-carboxylic acid ethyl esterHCID 1317289575'-Fluoro-2'-methoxy-4-(1-methoxyimino-ethyl)-biphenyl-2-carboxylic acid methyl ester

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매2회

실험 절차

4-Acetyl-5′-fluoro-2′-methoxy-biphenyl-2-carboxylic acid methyl ester was prepared in a similar manner to 1-(2-allyl-5′-fluoro-2′-methoxy-biphenyl-4-yl)-ethanone (Example 34) using methyl 5-acetylsalicylate instead of 3′-allyl-4′-hydroxyacetophenone. 5′-Fluoro-2′-methoxy-4-(1-methoxyimino-ethyl)-biphenyl-2-carboxylic acid methyl ester was prepared in a similar manner to 1-(5′-fluoro-3,2′-dimethoxy-2-propyl-biphenyl-4-yl)-ethanone O-methyl-oxime (Example 35) using 4-acetyl-5′-fluoro-2′-methoxy-biphenyl-2-carboxylic acid methyl ester instead of 1-(5′-fluoro-3,2′-dimethoxy-2-propyl-biphenyl-4-yl)-ethanone. A solution of 5′-fluoro-2′-methoxy-4-(1-methoxyimino-ethyl)-biphenyl-2-carboxylic acid methyl ester (3.61 g, 10 mmol) in tetrahydrofuran (40 ml), was treated dropwise with 1M borane.tetrahydrofuran solution (50 ml, 50 mmol) with ice cooling, and the resultant solution was stirred at ambient temperature for 3 days. The solvent was evaporated and the residue was partitioned between dichloromethane and dilute aqueous sodium carbonate solution. The organic phase was washed with water, the solvent evaporated and the residue treated with ethanol (50 ml), caesium fluoride (4.05 g) and sodium carbonate (4.05 g). This mixture was heated under reflux overnight and the solvent evaporated. The residue was treated with water and extracted with dichloromethane. The organic extracts were dried over anhydruous sodium sulfate, the solvent evaporated and the residue flash chromatographed over silica gel uluting with 98:2 ethyl acetate/2M ammonia in methanol to give 4-(1-amino-ethyl)-5′-fluoro-2′-methoxy-biphenyl-2-carboxylic acid ethyl ester. 4-[1-(3,5-Dimethyl-isoxazole-4-sulfonylamino)-ethyl]-5′-fluoro-2′-methoxy-biphenyl-2-carboxylic acid ethyl ester was prepared in a similar manner to N-[1-(2-allyl-5′-fluoro-2′-methoxy-biphenyl-4-yl)-ethyl]-3,4-difluoro-benzenesulfonamide (Example 34) using 4-(1-amino-ethyl)-5′-fluoro-2′-methoxy-biphenyl-2-carboxylic acid ethyl ester and 3,5-dimethyl-isoxazole-4-sulfonyl chloride. A solution of 4-[1-(3,5-dimethyl-isoxazole-4-sulfonylamino)-ethyl]-5′-fluoro-2′-methoxy-biphenyl-2-carboxylic acid ethyl ester (0.13 g, 0.28 mmol) in tetrahydrofuran (5 ml) was treated with 1M lithium aluminium hydride in tetrahydrofuran solution (1.1 ml, 1.1 mmol), and the resultant solution heated under reflux for 2 h. The solution was cooled, treated with dilute aqueous hydrochloric acid and extracted with ethyl acetate. The combined extracts were washed with brine, dried (sodium sulfate) and evaporated to give the title compound. MS (ESI) m/z: 435.1 [M+H]+.

후처리

  1. customThe solvent was evaporated
  2. customthe residue was partitioned between dichloromethane and dilute aqueous sodium carbonate solution
  3. washThe organic phase was washed with water
  4. customthe solvent evaporated
  5. additionthe residue treated with ethanol (50 ml), caesium fluoride (4.05 g) and sodium carbonate (4.05 g)
  6. temperatureThis mixture was heated
  7. temperatureunder reflux overnight
  8. customthe solvent evaporated
  9. additionThe residue was treated with water
  10. extractionextracted with dichloromethane
  11. dry with materialThe organic extracts were dried over anhydruous sodium sulfate
  12. customthe solvent evaporated
  13. customthe residue flash chromatographed over silica gel uluting with 98:2 ethyl acetate/2M ammonia in methanol

출처 및 근거

ORD 기록
ord-8b473a4bb73e4b5ea230fce5a2b39af4
출처 데이터셋
uspto-grants-2011_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07960365B2

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