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

HRID 2422908
ノート
印刷プレビュー

反応式

HRID 2422908 の反応式
[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]
参加物実験手順後処理出典と根拠反応ノート

参加物

10

反応物 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

生成物 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

試薬・触媒・溶媒 1

HCID 8028Tetrahydrofuran溶媒2 回

実験手順

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]+.

後処理

  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

出典と根拠

ORDレコード
ord-8b473a4bb73e4b5ea230fce5a2b39af4
出典データセット
uspto-grants-2011_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07960365B2

反応ノート

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