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Chloroacetyl chloride → HCID 53833167、化合物

HRID 893020
ノート
印刷プレビュー

反応式

HRID 893020 の反応式
Cl.[CH3:2][C:3]1[CH:8]=[C:7]([NH2:9])[CH:6]=[C:5]([CH3:10])[C:4]=1[OH:11].Cl[CH2:13][C:14](Cl)=[O:15].[N:17]1([C:22]2[N:27]=[C:26]([N:28]3[CH2:33][CH2:32][NH:31][CH2:30][CH2:29]3)[CH:25]=[C:24]([N:34]3[CH2:38][CH2:37][CH2:36][CH2:35]3)[N:23]=2)[CH2:21][CH2:20][CH2:19][CH2:18]1.C(=O)([O-])[O-].[K+].[K+]>C(Cl)Cl.C(#N)C.C(N(CC)CC)C>[N:17]1([C:22]2[N:27]=[C:26]([N:28]3[CH2:33][CH2:32][N:31]([CH2:13][C:14]([NH:9][C:7]4[CH:8]=[C:3]([CH3:2])[C:4]([OH:11])=[C:5]([CH3:10])[CH:6]=4)=[O:15])[CH2:30][CH2:29]3)[CH:25]=[C:24]([N:34]3[CH2:35][CH2:36][CH2:37][CH2:38]3)[N:23]=2)[CH2:21][CH2:20][CH2:19][CH2:18]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 4

HCID 6577Chloroacetyl chlorideHCID 11430Potassium CarbonateHCID 82667Phenol, 4-amino-2,6-dimethyl-, hydrochloride (1:1)HCID 145852434-(Piperazin-1-yl)-2,6-di(pyrrolidin-1-yl)pyrimidine

生成物 1

HCID 53833167HCID 53833167、化合物

試薬・触媒・溶媒 3

HCID 6342
Acetonitrile
溶媒
HCID 6344Dichloromethane溶媒3 回
HCID 8471Triethylamine溶媒

実験手順

To 2,6-dimethyl-4-aminophenol hydrogen chloride (5.0 g) in methylene chloride (20 ml) is added triethylamine (6.5 g) in methylene chloride (20 ml) dropwise at 0°. To the cold solution is added chloroacetylchloride (3.6 g) in methylene chloride (20 ml) dropwise over 5-10 m. The mixture is stirred at 0° for 30 min and then at 20°-25° for 1 hr. The mixture is washed with water (60 ml), dried over sodium sulfate and the solvent removed at reduced pressure to give a solid. MS (EI, m/e)=213, 215 (M+). Acetonitrile (40 ml), 2,6-bis(1-pyrrolidinyl)-4-(1-piperazinyl)pyrimidine (PREPARATION A-22, 1.42 g), potassium carbonate (0.65 g) are added to the solid and the mixture is heated at reflux for 10 hr. The solvent is removed at reduced pressure and residue is distributed between chloroform (100 ml) and water (100 ml). The phases are separated and the organic phase is dried over sodium sulfate and the solvent is removed at reduced pressure to give an oil. The oil is flash chromatographed on silica gel (175 g) eluting with ethyl acetate/hexane (2/1). The appropriate fractions were pooled and concentrated to give the title compound.

後処理

  1. waitat 20°-25° for 1 hr
  2. washThe mixture is washed with water (60 ml)
  3. dry with materialdried over sodium sulfate
  4. customthe solvent removed at reduced pressure
  5. customto give a solid
  6. temperaturethe mixture is heated
  7. temperatureat reflux for 10 hr
  8. customThe solvent is removed at reduced pressure and residue
  9. customThe phases are separated
  10. dry with materialthe organic phase is dried over sodium sulfate
  11. customthe solvent is removed at reduced pressure
  12. customto give an oil
  13. customchromatographed on silica gel (175 g)
  14. washeluting with ethyl acetate/hexane (2/1)
  15. concentrationconcentrated

出典と根拠

ORDレコード
ord-a2e680aa9e224f61a1e095384845d71f
出典データセット
uspto-grants-1992_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US05120843

反応ノート

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