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(S)-3-(2-chloro-5-fluoropyrimidin-4-ylamino)cyclohexanone → (S)-2-chloro-5-fluoro-N-(3-methylenecyclohexyl)pyrimidin-4-amine

HRID 74977
ノート
印刷プレビュー

反応式

HRID 74977 の反応式
[CH3:1][Si](N([Li])[Si](C)(C)C)(C)C.[Cl:11][C:12]1[N:17]=[C:16]([NH:18][C@H:19]2[CH2:24][CH2:23][CH2:22][C:21](=O)[CH2:20]2)[C:15]([F:26])=[CH:14][N:13]=1>[Br-].C[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.C1COCC1>[Cl:11][C:12]1[N:17]=[C:16]([NH:18][C@H:19]2[CH2:24][CH2:23][CH2:22][C:21](=[CH2:1])[CH2:20]2)[C:15]([F:26])=[CH:14][N:13]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

5

反応物 2

HCID 86667417(S)-3-(2-chloro-5-fluoropyrimidin-4-ylamino)cyclohexanone2 回HCID 178418261HCID 178418261、化合物

生成物 1

HCID 86667428(S)-2-chloro-5-fluoro-N-(3-methylenecyclohexyl)pyrimidin-4-amine

試薬・触媒・溶媒 2

HCID 74505Methyltriphenyliphosphonium bromide触媒HCID 8028Tetrahydrofuran溶媒2 回

実験手順

To a suspension of methyl(triphenyl)phosphonium bromide (0.86 g, 2.40 mmol) in THF (100 mL) in a flamed dry flask was added (bis(trimethylsilyl)amino)lithium (2.40 mL of 1 M solution, 2.40 mmol) at room temperature. The reaction mixture was allowed to stir at room temperature for 1 hr. A solution of (S)-3-(2-chloro-5-fluoropyrimidin-4-ylamino)cyclohexanone, 29b, (0.48 g, 2.00 mmol) in 20 mL of THF was added. The reaction was allowed to stir at room temperature for 2 hrs. The mixture was quenched by pouring into brine and the aqueous phase was extracted with EtOAc. The layers were separated and the organic was dried over MgSO4, filtered and evaporated to dryness. The crude residue was purified via silica gel chromatography (0-100% EtOAc/hexanes gradient) to afford 270 mg of the desired product: LCMS RT: 3.83 min, (M+1): 242.2.

後処理

  1. customdry flask
  2. stirringto stir at room temperature for 2 hrs
  3. customThe mixture was quenched
  4. additionby pouring into brine
  5. extractionthe aqueous phase was extracted with EtOAc
  6. customThe layers were separated
  7. dry with materialthe organic was dried over MgSO4
  8. filtrationfiltered
  9. customevaporated to dryness
  10. customThe crude residue was purified via silica gel chromatography (0-100% EtOAc/hexanes gradient)

出典と根拠

ORDレコード
ord-5f2f85aa76584a40a80c29f4b66159b4
出典データセット
uspto-grants-2014_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08829007B2

反応ノート

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