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Triethylamine → 8-(4-Chloro-2,6-dimethyl-phenyl)-3-methoxy-tetrahydro-pyrazolo[1,2-a][1,2,5]triazepine-7,9-dione

HRID 924606
ノート
印刷プレビュー

反応式

HRID 924606 の反応式
Cl.[CH3:2][O:3][N:4]1[CH2:10][CH2:9][NH:8][NH:7][CH2:6][CH2:5]1.C(N(CC)CC)C.[Cl:18][C:19]1[CH:24]=[C:23]([CH3:25])[C:22]([CH:26]([C:30](N)=[O:31])[C:27](N)=[O:28])=[C:21]([CH3:33])[CH:20]=1>C1(C)C(C)=CC=CC=1.ClCCl>[Cl:18][C:19]1[CH:20]=[C:21]([CH3:33])[C:22]([CH:26]2[C:30](=[O:31])[N:7]3[CH2:6][CH2:5][N:4]([O:3][CH3:2])[CH2:10][CH2:9][N:8]3[C:27]2=[O:28])=[C:23]([CH3:25])[CH:24]=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

6

反応物 3

HCID 8471TriethylamineHCID 711451642-(4-Chloro-2,6-dimethyl-phenyl)-malonamideHCID 867199135-Methoxy-[1,2,5]triazepane hydrochloride salt

生成物 1

HCID 867199228-(4-Chloro-2,6-dimethyl-phenyl)-3-methoxy-tetrahydro-pyrazolo[1,2-a][1,2,5]triazepine-7,9-dione

試薬・触媒・溶媒 2

HCID 6344Dichloromethane溶媒
HCID 7237
O-Xylene
溶媒

反応条件

温度
60 °C

実験手順

A degassed suspension of 5-methoxy-[1,2,5]triazepane hydrochloride salt (100 mg, 0.49 mmol) and triethylamine (0.33 ml, 207 mg, 2.05 mmol) in xylene (2.5 ml) was stirred under argon at 60° C. for 30 minutes in a microwave vial. After further addition of 2-(4-chloro-2,6-dimethyl-phenyl)-malonamide (120 mg, 0.50 mmol), the vial was capped and irradiated twice with microwaves at 180° C. for 10 minutes. The solid deposit on the vial wall was dissolved in dichloromethane, the solvent evaporated, the oily residue dissolved in 5N aqueous sodium hydroxide, the aqueous layer extracted with ethyl acetate (3×) and the combined organic layers discarded. The aqueous alkaline phase was acidified with cooling to pH 2-3 by addition of a 4N HCl solution and the product thoroughly extracted with dichloromethane. The combined organic layers were dried over sodium sulfate and concentrated in vacuo. Yield: 10 mg of 8-(4-chloro-2,6-dimethyl-phenyl)-3-methoxy-tetrahydro-pyrazolo[1,2-a][1,2,5]triazepine-7,9-dione (compound P2.2) as a beige solid.

後処理

  1. customthe vial was capped
  2. customirradiated twice with microwaves at 180° C. for 10 minutes
  3. customthe solvent evaporated
  4. dissolutionthe oily residue dissolved in 5N aqueous sodium hydroxide
  5. extractionthe aqueous layer extracted with ethyl acetate (3×)
  6. temperaturewith cooling to pH 2-3 by addition of a 4N HCl solution
  7. extractionthe product thoroughly extracted with dichloromethane
  8. dry with materialThe combined organic layers were dried over sodium sulfate
  9. concentrationconcentrated in vacuo

出典と根拠

ORDレコード
ord-3679da13838943688e2610df4a875fa2
出典データセット
uspto-grants-2016_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09282743B2

反応ノート

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