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Acetic Acid → 2,5-Dimethoxy-4-cyanoaminopyrimidine

HRID 1467373
ノート
印刷プレビュー

反応式

HRID 1467373 の反応式
[N:1]#[C:2][NH2:3].[Na].Cl[C:6]1[C:11]([O:12][CH3:13])=[CH:10][N:9]=[C:8]([O:14][CH3:15])[N:7]=1.C(O)(=O)C.[Cl-].[Na+]>CN1CCCC1=O>[CH3:15][O:14][C:8]1[N:7]=[C:6]([NH:3][C:2]#[N:1])[C:11]([O:12][CH3:13])=[CH:10][N:9]=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 176Acetic AcidHCID 5234Sodium ChlorideHCID 99422744-Chloro-2,5-dimethoxypyrimidineHCID 57375518Cyanamidnatrium

生成物 1

HCID 867130532,5-Dimethoxy-4-cyanoaminopyrimidine収率 94.8%

試薬・触媒・溶媒 1

HCID 13387N-methyl-2-pyrrolidone溶媒

実験手順

To a 100 milliliter (mL) three-neck round bottom flask were added sequentially 7.8 grams (g) (121.53 millimole (mmol)) of sodium hydrogen cyanamide and 34.2 g of N-methyl-2-pyrrolidinone (NMP) in one portion, and the slurry mixture was cooled in an ambient temperature water bath. To this mixture was added 10.0 g (54.99 mmol) of 96% 4-chloro-2,5-dimethoxypyrimidine (1; CDMP) in one portion. The mixture was allowed to stir at ambient temperature (<20° C.). After 65 hours (h), 3.55 g (59.11 mmol) of glacial acetic acid was added in one portion and the internal pot temperature rose from 18° C. to 23° C. This reaction slurry was pipetted over 87.1 g of crushed ice and the ice was allowed to melt. To this mixture was added 10.3 g of sodium chloride. The mixture was allowed to stand until the crushed ice was fully melted. Once melted, the cold slurry was suction filtered and the filter cake was washed with one 10 mL portion of water and then two 20-mL portions of water. The wet cake was isolated to afford 9.39 g (80.2% pure by NMR assay using benzyl acetate) of 2,5-dimethoxy-4-cyanoaminopyrimidine (2) as a light yellow solid mp 164-171° C. in 76% yield; 1H NMR (DMSO-d6, 400 MHz) δ 3.72 (s, 3H), 3.94 (s, 3H), 7.46 (s, 1H), 12.48 (br s, ˜1H); 13C NMR (DMSO, 100 MHz) δ 55.21, 56.60, 116.20, 121.8 (br s), 138.9, 153.9, 162.6 (br s).

後処理

  1. customrose from 18° C. to 23° C
  2. filtrationfiltered
  3. washthe filter cake was washed with one 10 mL portion of water
  4. customThe wet cake was isolated

出典と根拠

ORDレコード
ord-6d753f0ddf9d42ebb1c17dae0a638814
出典データセット
uspto-grants-2015_04
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09000160B2

反応ノート

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