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3-Methyl-1H-pyrazole-4-boronic acid pinacol ester → HCID 59022982, 화합물

HRID 1366132
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HRID 1366132 반응식
[CH3:1][C:2]1[NH:6][N:5]=[CH:4][C:3]=1B1OC(C)(C)C(C)(C)O1.Br[C:17]1[N:22]2[CH:23]=[CH:24][N:25]=[C:21]2[C:20]([NH:26][C:27]2[CH:32]=[CH:31][C:30]([N:33]3[CH2:38][CH2:37][N:36]([CH3:39])[CH2:35][CH2:34]3)=[CH:29][CH:28]=2)=[N:19][CH:18]=1>O1CCOCC1.CN(C=O)C.C([O-])([O-])=O.[Na+].[Na+].C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[CH3:39][N:36]1[CH2:37][CH2:38][N:33]([C:30]2[CH:31]=[CH:32][C:27]([NH:26][C:20]3[C:21]4[N:22]([CH:23]=[CH:24][N:25]=4)[C:17]([C:3]4[CH:4]=[N:5][NH:6][C:2]=4[CH3:1])=[CH:18][N:19]=3)=[CH:28][CH:29]=2)[CH2:34][CH2:35]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 2

HCID 177502703-Methyl-1H-pyrazole-4-boronic acid pinacol esterHCID 59022979(5-Bromoimidazo[1,2-a]pyrazin-8-yl)-(4-(4-methylpiperazin-1-yl)phenyl)amine

생성물 1

HCID 59022982HCID 59022982, 화합물

시약·촉매·용매 4

HCID 178418397HCID 178418397, 화합물촉매HCID 6228Dimethylformamide용매
HCID 10340
Sodium Carbonate
용매
HCID 312751,4-Dioxane용매

실험 절차

In the same way as described for Compound 127, step 4, using 5-methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole (75 mg, 0.36 mmol), (5-bromoimidazo[1,2-a]pyrazin-8-yl)-(4-(4-methylpiperazin-1-yl)phenyl)amine (70 mg, 0.18 mmol) and Pd(PPh3)4 (52 mg, 0.045 mmol) in dioxane (0.6 mL), DMF (1.33 mL) and 1.5M Na2CO3 (0.97 mL). The residue is chromatographed on silica gel, eluting with DCM followed by 95:5 DCM:NH3 (7M in MeOH), and the fractions containing the desired product are combined and evaporated. The title compound is isolated as a solid. HPLC (254 nm): Rt 1.62 min (98.2%); m/z (APCI) 389 (M+H)+.

후처리

  1. customThe residue is chromatographed on silica gel
  2. washeluting with DCM
  3. additionNH3 (7M in MeOH), and the fractions containing the desired product
  4. customevaporated

출처 및 근거

ORD 기록
ord-db7217fe63fc488389f355c748263de9
출처 데이터셋
uspto-grants-2011_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07893058B2

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