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Methyl iodide → N-{3-[{4-[(4-tert-butyl-1,3-thiazol-2(3H)-ylidene)(cyano)methyl]pyrimidin-2-yl}(methyl)amino]propyl}acetamide

HRID 2375320
ノート
印刷プレビュー

反応式

HRID 2375320 の反応式
[C:1]([C:5]1[NH:6][C:7](=[C:10]([C:25]#[N:26])[C:11]2[CH:16]=[CH:15][N:14]=[C:13]([NH:17][CH2:18][CH2:19][CH2:20][NH:21][C:22](=[O:24])[CH3:23])[N:12]=2)[S:8][CH:9]=1)([CH3:4])([CH3:3])[CH3:2].[CH3:27]C(C)([O-])C.[K+].CI.C(O)(C(F)(F)F)=O>C1COCC1.C(Cl)Cl.CCOCC>[C:1]([C:5]1[NH:6][C:7](=[C:10]([C:25]#[N:26])[C:11]2[CH:16]=[CH:15][N:14]=[C:13]([N:17]([CH3:27])[CH2:18][CH2:19][CH2:20][NH:21][C:22](=[O:24])[CH3:23])[N:12]=2)[S:8][CH:9]=1)([CH3:4])([CH3:2])[CH3:3]
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 4

HCID 6328Methyl iodideHCID 6422Trifluoroacetic acidHCID 23665647Potassium tert-butoxideHCID 69310017HCID 69310017、化合物

生成物 1

HCID 67068382N-{3-[{4-[(4-tert-butyl-1,3-thiazol-2(3H)-ylidene)(cyano)methyl]pyrimidin-2-yl}(methyl)amino]propyl}acetamide収率 35.4%

試薬・触媒・溶媒 3

HCID 3283
Diethyl Ether
溶媒
HCID 6344Dichloromethane溶媒
HCID 8028Tetrahydrofuran溶媒

実験手順

To suspension of N-[3-({4-[(4-tert-butyl-1,3-thiazol-2(3H)-ylidene)(cyano)methyl]pyrimidin-2-yl}amino)propyl]acetamide (290 mg, 0.68 mmol) in THF (7 ml) were added potassium tert-butoxide (91 mg, 0.81 mmol) and methyl iodide (0.085 mL, 1.35 mmol). The resulting mixture was stirred 2 h at rt. LC/MS analysis showed the presence two peaks with the same mass in a proportion of 7:3. The THF was evaporated and the residue was taken up in water and extracted with EtOAc (3×). The combined organic layer was washed with brine, dried with MgSO4 and the solvent was evaporated under reduced pressure to give a gummy residue which was the mixture of to compounds of the same mass. It was taken up in DCM and an excess TFA then ether were added to the solution. As no precipitation occurred, the solution was concentrated under reduced pressure and the residue was purified by preparative HPLC to give 93 mg of the title compound as a TFA salt pyrimidine (yellow solid, Y=27.3%).

後処理

  1. customThe THF was evaporated
  2. extractionextracted with EtOAc (3×)
  3. washThe combined organic layer was washed with brine
  4. dry with materialdried with MgSO4
  5. customthe solvent was evaporated under reduced pressure
  6. customto give a gummy residue which
  7. additionthe mixture of to compounds of the same mass
  8. customAs no precipitation
  9. concentrationthe solution was concentrated under reduced pressure
  10. customthe residue was purified by preparative HPLC

出典と根拠

ORDレコード
ord-81dca2a2405e4f8f96aef52632b982dd
出典データセット
uspto-grants-2008_12
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07465736B2

反応ノート

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