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Acetic Acid → 4-(4-Cyclopropylmethyl-piperazin-1-yl)-6-(trifluoromethyl-phenyl)-pyrimidine-2-carbonitrile trifluoroacetic acid salt

HRID 2053078
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HRID 2053078 반응식
[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[N:8]1([C:14]2[CH:19]=[C:18]([C:20]3[CH:25]=[CH:24][CH:23]=[C:22](C(F)(F)F)[CH:21]=3)[N:17]=[C:16]([C:30]#[N:31])[N:15]=2)[CH2:13][CH2:12][NH:11][CH2:10][CH2:9]1.[CH:32]1([CH:35]=O)[CH2:34][CH2:33]1.C(O)(=O)C.C([BH3-])#N>CO>[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[CH:32]1([CH2:35][N:11]2[CH2:10][CH2:9][N:8]([C:14]3[CH:19]=[C:18]([C:20]4[CH:25]=[CH:24][CH:23]=[CH:22][C:21]=4[C:2]([F:7])([F:6])[F:1])[N:17]=[C:16]([C:30]#[N:31])[N:15]=3)[CH2:13][CH2:12]2)[CH2:34][CH2:33]1
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참가 물질

6

반응물 4

HCID 176Acetic AcidHCID 123114CyclopropanecarboxaldehydeHCID 498716Cyano-borohydrideHCID 866124954-(Piperazin-1-yl)-6-(3-trifluoromethylphenyl)-pyrimidine-2-carbonitrile trifluoroacetic acid salt

생성물 1

HCID 866124984-(4-Cyclopropylmethyl-piperazin-1-yl)-6-(trifluoromethyl-phenyl)-pyrimidine-2-carbonitrile trifluoroacetic acid salt

시약·촉매·용매 1

HCID 887Methanol용매

실험 절차

To a stirring solution of 4-(piperazin-1-yl)-6-(3-trifluoromethylphenyl)-pyrimidine-2-carbonitrile trifluoroacetic acid salt (67 mg) in methanol (2 ml) was added cyclopropane carboxaldehyde (13 μl), acetic acid (0.5 ml) and resin-bound cyanoborohydride (1 mmol/g, 89 mg). The reaction mixture was stirred at room temperature for 16 hrs. Resin was filtered off and the filtrate was concentrated in vacuo. The residue was dissolved in methanol and purified using the prep-HPLC to give 4-(4-cyclopropylmethyl-piperazin-1-yl)-6-(trifluoromethyl-phenyl)-pyrimidine-2-carbonitrile trifluoroacetic acid salt as a white solid (10 mg).

후처리

  1. filtrationResin was filtered off
  2. concentrationthe filtrate was concentrated in vacuo
  3. dissolutionThe residue was dissolved in methanol
  4. custompurified

출처 및 근거

ORD 기록
ord-9764b3c827ba4473b185c6b3ab682603
출처 데이터셋
uspto-grants-2008_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07326715B2

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