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Diisopropylamine → 2-{4-[4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyliden}acetic acid

HRID 51595
ノート
印刷プレビュー

反応式

HRID 51595 の反応式
C(NC(C)C)(C)C.[Li]CCCC.C(OP([CH2:21][C:22]([OH:24])=[O:23])(OCC)=O)C.[NH2:25][C:26]1[C:27]2[C:34]([C:35]3[CH:40]=[CH:39][C:38]([O:41][C:42]4[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=4)=[CH:37][CH:36]=3)=[CH:33][N:32]([CH:48]3[CH2:53][CH2:52][C:51](=O)[CH2:50][CH2:49]3)[C:28]=2[N:29]=[CH:30][N:31]=1>O1CCCC1>[NH2:25][C:26]1[C:27]2[C:34]([C:35]3[CH:36]=[CH:37][C:38]([O:41][C:42]4[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=4)=[CH:39][CH:40]=3)=[CH:33][N:32]([CH:48]3[CH2:53][CH2:52][C:51](=[CH:21][C:22]([OH:24])=[O:23])[CH2:50][CH2:49]3)[C:28]=2[N:29]=[CH:30][N:31]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 4

HCID 7912DiisopropylamineHCID 36704(Diethoxyphosphinyl)acetic acidHCID 22736171Protein kinase inhibitor 9HCID 178418339Butyllithium

生成物 1

HCID 227362722-{4-[4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyliden}acetic acid収率 70.7%

試薬・触媒・溶媒 1

HCID 8028
Tetrahydrofuran
溶媒
4 回

実験手順

A solution of diisopropylamine (1.40 g, 13.82 mmol) in tetrahydrofuran (60 mL) was added into a solution of 2.2 M n-BuLi (6.29 mL, 13.82 mmol) in tetrahydrofuran (20 mL) at −78° C. A solution of diethylphosphonoacetic acid (1.29 g, 6.59 mmol) in tetrahydrofuran (60 mL) was added at −78° C. under the atmosphere of nitrogen. The mixture was kept at −78° C. for 20 minutes and allowed to warm up to ambient temperature. The mixture was then transferred into a suspension of 4-[4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexanone (2.50 g, 6.28 mmol) in tetrahydrofuran (150 mL) at −78° C. quickly. The resulting mixture was allowed to warm up to ambient temperature overnight and the solvent was removed under reduced pressure. The residue was taken in water and adjusted PH to be 3-4 with 1M aqueous acetic acid followed by extraction with ethyl acetate three times. The combined organic extracts were washed with saturated aqueous sodium chloride solution, dried over magnesium sulfate, filtered and evaporated under reduced pressure to give 2-{4-[4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyliden}acetic acid (1.96 g, 4.44 mmol) as a white solid: 1H NMR (DMSO-d6, 400 MHz) δ 11.98(br, 1H), 7.45(d, 2H), 7.41(s, 1H), 7.40(d, 2H), 7.16(t, 1H), 7.08(m, 4H), 6.10(br, 2H), 5.70(s, 1H), 4.80(m, 1H), 2.50-1.90(m, 8H); RP-HPLC (Hypersil C18, 5 μm, 100 A, 250×4.6 mm; 25%-100% acetonitrile-0.05M ammonium acetate over 10 min, 1 mL/min) Rt 9.70 min. MS: MH+ 441.

後処理

  1. temperatureto warm up to ambient temperature overnight
  2. customthe solvent was removed under reduced pressure
  3. extractionfollowed by extraction with ethyl acetate three times
  4. washThe combined organic extracts were washed with saturated aqueous sodium chloride solution
  5. dry with materialdried over magnesium sulfate
  6. filtrationfiltered
  7. customevaporated under reduced pressure

出典と根拠

ORDレコード
ord-4774d0e2830d46a6871b3bb898441451
出典データセット
uspto-grants-2004_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06713474B2

反応ノート

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