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Water → 3-chloro-4-[7-(cyclopropylamino)-3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzonitrile

HRID 624801
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HRID 624801 반응식
Cl[C:2]1[CH:7]=[C:6]([N:8]([CH:16]2[CH2:18][CH2:17]2)C(=O)OC(C)(C)C)[N:5]2[N:19]=[CH:20][C:21](/[CH:22]=[C:23]3\[NH:24][C:25](=[O:29])[NH:26][C:27]\3=[O:28])=[C:4]2[N:3]=1.[Cl:30][C:31]1[CH:32]=[C:33]([CH:36]=[CH:37][C:38]=1[OH:39])[C:34]#[N:35].C([O-])([O-])=O.[K+].[K+].O>CN(C=O)C>[Cl:30][C:31]1[CH:32]=[C:33]([CH:36]=[CH:37][C:38]=1[O:39][C:2]1[CH:7]=[C:6]([NH:8][CH:16]2[CH2:18][CH2:17]2)[N:5]2[N:19]=[CH:20][C:21](/[CH:22]=[C:23]3\[NH:24][C:25](=[O:29])[NH:26][C:27]\3=[O:28])=[C:4]2[N:3]=1)[C:34]#[N:35]
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참가 물질

6

반응물 4

HCID 962WaterHCID 11430Potassium CarbonateHCID 2735739Benzonitrile, 3-chloro-4-hydroxy-HCID 86714615HCID 86714615, 화합물

생성물 1

HCID 1785100813-chloro-4-[7-(cyclopropylamino)-3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzonitrile수율 57.4%

시약·촉매·용매 1

HCID 6228
Dimethylformamide
용매

실험 절차

(Z)-tert-butyl 5-chloro-3-((2,5-dioxoimidazolidin-4-ylidene)methyl)pyrazolo[1,5-a]pyrimidin-7-yl(cyclopropyl)carbamate (75 mg, 0.18 mmol) was dissolved in anhydrous DMF (0.6 mL). 3-chloro-4-hydroxybenzonitrile (41 mg, 0.27 mmol) and K2CO3 (75 mg, 0.54 mmol) were added. After 24 h, H2O (3.5 mL) was added to the reaction and the bright yellow precipitate was filtered and dried. The crude solid was dissolved in dichloromethane (1 mL) and trifluoroacetic acid (1 mL). After 1 h, the reaction was concentrated to dryness and the residue was triturated with Et2O (3 mL) and filtered to provide (Z)-3-chloro-4-(7-(cyclopropylamino)-3-((2,5-dioxoimidazolidin-4-ylidene)methyl)pyrazolo[1,5-a]pyrimidin-5-yloxy)benzonitrile (45 mg, 57% over two steps) as a bright yellow solid.

후처리

  1. filtrationthe bright yellow precipitate was filtered
  2. customdried
  3. dissolutionThe crude solid was dissolved in dichloromethane (1 mL)
  4. waitAfter 1 h
  5. concentrationthe reaction was concentrated to dryness
  6. customthe residue was triturated with Et2O (3 mL)
  7. filtrationfiltered

출처 및 근거

ORD 기록
ord-b0e31d6debac4f8f9883c227656dab37
출처 데이터셋
uspto-grants-2016_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09303033B2

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