ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.8.0
  1. ホーム
  2. /反応

Water → 4-Amino-2-[1-(2-fluorobenzyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-5,5-dimethyl-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one

HRID 570528
ノート
印刷プレビュー

反応式

HRID 570528 の反応式
[F:1][C:2]1[CH:21]=[CH:20][CH:19]=[CH:18][C:3]=1[CH2:4][N:5]1[C:9]2=[N:10][C:11]([CH3:14])=[N:12][CH:13]=[C:8]2[C:7]([C:15](=[NH:17])[NH2:16])=[N:6]1.[C:22]([CH:24]([C:32]#[N:33])[C:25]([CH3:31])([CH3:30])[C:26](OC)=[O:27])#[N:23].CC(C)([O-])C.[K+].O>C(O)(C)(C)C>[NH2:23][C:22]1[C:24]2[C:25]([CH3:31])([CH3:30])[C:26](=[O:27])[NH:33][C:32]=2[N:17]=[C:15]([C:7]2[C:8]3[C:9](=[N:10][C:11]([CH3:14])=[N:12][CH:13]=3)[N:5]([CH2:4][C:3]3[CH:18]=[CH:19][CH:20]=[CH:21][C:2]=3[F:1])[N:6]=2)[N:16]=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 962WaterHCID 23665647Potassium tert-butoxideHCID 86657403Methyl 3,3-dicyano-2,2-dimethylpropanoateHCID 866920951-(2-Fluorobenzyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidine-3-carboximidamide

生成物 1

HCID 712856424-Amino-2-[1-(2-fluorobenzyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-5,5-dimethyl-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one

試薬・触媒・溶媒 1

HCID 6386tert-Butanol溶媒2 回

実験手順

200 mg (0.70 mmol) of 1-(2-fluorobenzyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidine-3-carboximidamide were admixed with 3 ml of tert-butanol, 146 mg (0.70 mmol) of methyl 3,3-dicyano-2,2-dimethylpropanoate dissolved in 1.5 ml of tert-butanol and 94 mg (0.84 mmol) of potassium tert-butoxide, and the mixture was heated under reflux for 48 h. Water was added and the precipitate was filtered off. The filtrate was extracted with dichloromethane, and the organic phase was dried over sodium sulphate and concentrated on a rotary evaporator. The residue was stirred with water/ethanol. The solid was filtered off and dried under high vacuum. 102 mg (34% of theory) of the target compound were obtained.

後処理

  1. temperatureunder reflux for 48 h
  2. filtrationthe precipitate was filtered off
  3. extractionThe filtrate was extracted with dichloromethane
  4. dry with materialthe organic phase was dried over sodium sulphate
  5. concentrationconcentrated on a rotary evaporator
  6. filtrationThe solid was filtered off
  7. customdried under high vacuum
  8. custom102 mg (34% of theory) of the target compound were obtained

出典と根拠

ORDレコード
ord-dfcc7c75834148b383cbf324c66272fa
出典データセット
uspto-grants-2015_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09023849B2

反応ノート

読み込み中…

このページの内容参加物実験手順後処理出典と根拠反応ノート