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Acetic Acid → 1-({4-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)ethyl]piperazin-1-yl}methyl)-3,4-dihydro-1H-isochromene-5-carbonitrile

HRID 1474392
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HRID 1474392 반응식
[CH:1]([CH:3]1[C:12]2[CH:11]=[CH:10][CH:9]=[C:8]([C:13]#[N:14])[C:7]=2[CH2:6][CH2:5][O:4]1)=O.Cl.[N:16]1([CH2:22][CH2:23][C:24]2[CH:33]=[CH:32][C:27]3[C:28](=[O:31])[O:29][CH2:30][C:26]=3[CH:25]=2)[CH2:21][CH2:20][NH:19][CH2:18][CH2:17]1.CCN(C(C)C)C(C)C.CC(O)=O.[BH-](OC(C)=O)(OC(C)=O)OC(C)=O.[Na+]>C(Cl)Cl.O>[O:31]=[C:28]1[C:27]2[CH:32]=[CH:33][C:24]([CH2:23][CH2:22][N:16]3[CH2:21][CH2:20][N:19]([CH2:1][CH:3]4[C:12]5[CH:11]=[CH:10][CH:9]=[C:8]([C:13]#[N:14])[C:7]=5[CH2:6][CH2:5][O:4]4)[CH2:18][CH2:17]3)=[CH:25][C:26]=2[CH2:30][O:29]1
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참가 물질

8

반응물 5

HCID 176Acetic AcidHCID 81531DiisopropylethylamineHCID 5049666Sodium triacetoxyborohydrideHCID 595686551-formyl-3,4-dihydro-1H-isochromene-5-carbonitrileHCID 666467325-(2-piperazin-1-ylethyl)-2-benzofuran-1(3H)-one hydrochloride

생성물 1

HCID 49801626
1-({4-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)ethyl]piperazin-1-yl}methyl)-3,4-dihydro-1H-isochromene-5-carbonitrile

시약·촉매·용매 2

HCID 962Water용매HCID 6344Dichloromethane용매

실험 절차

A mixture of 1-formyl-3,4-dihydro-1H-isochromene-5-carbonitrile (65 mg, 0.35 mmol), 5-(2-piperazin-1-ylethyl)-2-benzofuran-1(3H)-one hydrochloride (100 mg, 0.35 mmol), DIEA (45 mg, 0.35 mmol), AcOH (21 mg, 0.35 mmol) in 3 mL of DCM was stirred 30 min at room temperature and then NaBH(OAc)3 (440 mg, 2.1 mmol) was added. The mixture was stirred over night at room temperature. Water was added and the mixture was extracted with DCM. The combined organic layers were washed with brine, dried over anhydrous Na2SO4, concentrated and the residue was purified by prep-HPLC to give 1-({4-[2-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)ethyl]piperazin-1-yl}methyl)-3,4-dihydro-1H-isochromene-5-carbonitrile.

후처리

  1. stirringThe mixture was stirred over night at room temperature
  2. extractionthe mixture was extracted with DCM
  3. washThe combined organic layers were washed with brine
  4. dry with materialdried over anhydrous Na2SO4
  5. concentrationconcentrated
  6. customthe residue was purified by prep-HPLC

출처 및 근거

ORD 기록
ord-970874e137434382927c277bb81c5bfe
출처 데이터셋
uspto-grants-2015_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09018211B2

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