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Acetic Acid → N-(2-aminophenyl)-4-(3-cyano-5-{[methyl(tetrahydrofuran-2-ylmethyl)amino]methyl}pyridin-2-yl)benzamide

HRID 599517
ノート
印刷プレビュー

反応式

HRID 599517 の反応式
C(OC([NH:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[NH:15][C:16](=[O:33])[C:17]1[CH:22]=[CH:21][C:20]([C:23]2[C:28]([C:29]#[N:30])=[CH:27][C:26](C=O)=[CH:25][N:24]=2)=[CH:19][CH:18]=1)=O)(C)(C)C.[CH3:34][NH:35][CH2:36][CH:37]1[O:41][CH2:40][CH2:39][CH2:38]1.[C:42](O)(=O)C.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].FC(F)(F)C(O)=O>O1CCCC1.ClCCl>[NH2:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[NH:15][C:16](=[O:33])[C:17]1[CH:22]=[CH:21][C:20]([C:23]2[C:28]([C:29]#[N:30])=[CH:27][C:26]([CH2:34][N:35]([CH3:42])[CH2:36][CH:37]3[CH2:38][CH2:39][CH2:40][O:41]3)=[CH:25][N:24]=2)=[CH:19][CH:18]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

8

反応物 5

HCID 176Acetic AcidHCID 6422Trifluoroacetic acidHCID 98090N-(Tetrahydrofurfuryl)-N-methylamineHCID 5049666Sodium triacetoxyborohydrideHCID 86624985N-(2-t-Butoxycarbonylaminophenyl)-4-(3-cyano-5-formylpyridin-2-yl)benzamide

生成物 1

HCID 59848779
N-(2-aminophenyl)-4-(3-cyano-5-{[methyl(tetrahydrofuran-2-ylmethyl)amino]methyl}pyridin-2-yl)benzamide

試薬・触媒・溶媒 2

HCID 6344Dichloromethane溶媒HCID 8028Tetrahydrofuran溶媒

実験手順

N-(2-t-Butoxycarbonylaminophenyl)-4-(3-cyano-5-formylpyridin-2-yl)benzamide (0.20 g, 0.45 mmol; prepared as described in Method 15 below), N-methyltetrahydrofurfurylamine (81 mg, 0.7 mmol) and acetic acid (26 μl, 0.45 mmol) were dissolved in tetrahydrofuran (5 ml). The mixture was stirred at ambient temperature for 1 hour. Sodium triacetoxyborohydride (144 mg, 0.7 mmol) was then added and the mixture stirred for a further 3 hours. The mixture was concentrated and the residue purified by flash chromatography eluting with 100% ethyl acetate. Concentration of the solvent gave product as a gum. This was dissolved in dichloromethane (6 ml), trifluoroacetic acid (1.2 ml) was added and the solution then stirred at ambient temperature for 2 hours. The resulting solution was absorbed onto an SCX-2 column, which was washed with methanol (3 column volumes) and the product eluted with a 2M solution of ammonia in methanol (3 column volumes) then concentrated to give the product as a gum. This was re-precipitated by stirring in diethyl ether (3 ml) to give the title compound as a foam/gum (43 mg, 22%). NMR Spectrum: (DMSO-d6, 373K) 1H NMR 1.53 (m, 1H), 1.82 (m, 2H), 1.98 (m, 1H), 2.37 (s, 3H), 2.64 (m, 2H), 3.00 (br s, 2H), 3.66 (q, 1H), 3.77 (q, 1H), 3.84 (m, 2H), 4.04 (m, 1H), 6.63 (m, 1H), 6.82 (d, 1H), 6.98 (m, 1H), 7.27 (d, 1H), 8.00 (d, 2H), 8.14 (d, 2H), 8.29 (s, 1H), 8.89 (s, 1H), 9.50 (br s, 1H); Mass Spectrum: M+H+ 442.

後処理

  1. stirringthe mixture stirred for a further 3 hours
  2. concentrationThe mixture was concentrated
  3. customthe residue purified by flash chromatography
  4. washeluting with 100% ethyl acetate
  5. customConcentration of the solvent gave product as a gum
  6. stirringthe solution then stirred at ambient temperature for 2 hours
  7. customThe resulting solution was absorbed onto an SCX-2 column, which
  8. washwas washed with methanol (3 column volumes)
  9. washthe product eluted with a 2M solution of ammonia in methanol (3 column volumes)
  10. concentrationthen concentrated

出典と根拠

ORDレコード
ord-16065a91bbd64352a675f461fb72339c
出典データセット
uspto-grants-2011_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07897778B2

反応ノート

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