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Methanol → Methyl 4-(3-oxo-2,3-dihydro-1,2,4-triazin-6-yl)benzoate

HRID 1257872
ノート
印刷プレビュー

反応式

HRID 1257872 の反応式
C(O[CH:4](OCC)[C:5]([C:7]1[CH:16]=[CH:15][C:10]([C:11]([O:13][CH3:14])=[O:12])=[CH:9][CH:8]=1)=O)C.Cl.[NH2:21][NH:22][C:23]([NH2:25])=[O:24].C(N(CC)C(C)C)(C)C.CO>ClCCCl.C(Cl)Cl>[O:24]=[C:23]1[N:25]=[CH:4][C:5]([C:7]2[CH:8]=[CH:9][C:10]([C:11]([O:13][CH3:14])=[O:12])=[CH:15][CH:16]=2)=[N:21][NH:22]1
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

7

反応物 4

HCID 887MethanolHCID 11236Semicarbazide hydrochloride2 回HCID 81531DiisopropylethylamineHCID 59216300Methyl 4-(diethoxyacetyl)benzoate

生成物 1

HCID 59216301Methyl 4-(3-oxo-2,3-dihydro-1,2,4-triazin-6-yl)benzoate

試薬・触媒・溶媒 2

HCID 111,2-Dichloroethane
溶媒
HCID 6344Dichloromethane溶媒

反応条件

温度
95 °C

実験手順

A mixture of methyl 4-(diethoxyacetyl)benzoate (15.4 g, 0.0578 mol), semicarbazide hydrochloride (7.1 g, 0.064 mol), N,N-diisopropylethylamine (12 mL, 0.069 mol) in 1,2-dichloroethane (150 mL), and methanol (2 mL) was heated at 95° C. for 4 h. To the mixture was added an additional 0.1 equivalents of semicarbazide hydrochloride. The mixture was stirred at 95° C. for 1 h. After cooling to RT, the mixture was diluted with methylene chloride and washed with water, brine, dried over Na2SO4, filtered, and concentrated. The residue was refluxed with acetic acid (100 mL) and water (1.0 mL) overnight. The mixture was concentrated to yield quantitative crude material which was directly used in the next step.

後処理

  1. temperatureAfter cooling to RT
  2. washwashed with water, brine
  3. dry with materialdried over Na2SO4
  4. filtrationfiltered
  5. concentrationconcentrated
  6. temperatureThe residue was refluxed with acetic acid (100 mL) and water (1.0 mL) overnight
  7. concentrationThe mixture was concentrated
  8. customto yield quantitative crude material which

出典と根拠

ORDレコード
ord-d8d1fe9077634143855b2b5fb998f69a
出典データセット
uspto-grants-2013_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08461330B2

反応ノート

読み込み中…

このページの内容参加物反応条件実験手順後処理出典と根拠反応ノート