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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 536501
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HRID 536501 반응식
C[O:2][C:3](=O)[C:4]([CH3:11])([CH3:10])[CH:5]([C:8]#[N:9])[C:6]#[N:7].[F:13][C:14]1[CH:33]=[CH:32][CH:31]=[CH:30][C:15]=1[CH2:16][N:17]1[C:21]2=[N:22][C:23]([CH3:26])=[N:24][CH:25]=[C:20]2[C:19]([C:27](=[NH:29])[NH2:28])=[N:18]1.O>C(O)(C)(C)C>[NH2:7][C:6]1[C:5]2[C:4]([CH3:11])([CH3:10])[C:3](=[O:2])[NH:9][C:8]=2[N:29]=[C:27]([C:19]2[C:20]3[C:21](=[N:22][C:23]([CH3:26])=[N:24][CH:25]=3)[N:17]([CH2:16][C:15]3[CH:30]=[CH:31][CH:32]=[CH:33][C:14]=3[F:13])[N:18]=2)[N:28]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 962WaterHCID 86657403Methyl 3,3-dicyano-2,2-dimethylpropanoateHCID 866920951-(2-Fluorobenzyl)-6-methyl-1H-pyrazolo[3,4-d]pyrimidine-3-carboximidamide

생성물 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

시약·촉매·용매 1

HCID 6386tert-Butanol
용매
2회

실험 절차

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

후처리

  1. temperaturewas heated
  2. temperatureunder reflux for 48 h
  3. filtrationthe precipitate was filtered off
  4. extractionThe filtrate was extracted with dichloromethane
  5. dry with materialthe organic phase was dried over sodium sulphate
  6. concentrationconcentrated in a rotary evaporator
  7. additionThe residue was mixed with water/ethanol
  8. filtrationThe solid was filtered off
  9. customdried under high vacuum
  10. custom102 mg (34% of theor.) of the target compound was obtained

출처 및 근거

ORD 기록
ord-fc1c0437b3354b7e9b84601a0113ed3c
출처 데이터셋
uspto-grants-2014_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08859569B2

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