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Hydrochloric Acid → HCID 178447529, 화합물

HRID 2275488
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HRID 2275488 반응식
[C:1]1([C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)[CH:6]=[CH:5][C:4]([CH2:7][C@@H:8]([NH:23][C:24]([C:26]2[N:27]=[N:28][NH:29][CH:30]=2)=[O:25])[CH2:9][C@@:10]([CH3:22])([CH2:14][O:15]C2CCCCO2)[C:11]([OH:13])=[O:12])=[CH:3][CH:2]=1.Cl.O1CCOCC1.CC#N.C(Cl)Cl.[C:50](Cl)(=[O:55])[CH2:51][CH:52]([CH3:54])[CH3:53].CCN(C(C)C)C(C)C>>[C:1]1([C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)[CH:6]=[CH:5][C:4]([CH2:7][C@@H:8]([NH:23][C:24]([C:26]2[NH:27][N:28]=[N:29][CH:30]=2)=[O:25])[CH2:9][C@@:10]([CH3:22])([CH2:14][O:15][C:50](=[O:55])[CH2:51][CH:52]([CH3:54])[CH3:53])[C:11]([OH:13])=[O:12])=[CH:3][CH:2]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 66054Isovaleryl chlorideHCID 81531DiisopropylethylamineHCID 178458454HCID 178458454, 화합물

생성물 1

HCID 178447529
HCID 178447529, 화합물
수율 2.4%

실험 절차

(2S,4R)-5-Biphenyl-4-yl-2-methyl-2-(tetrahydropyran-2-yloxymethyl)-4-[(1H-1,2,3-triazole-4-carbonyl)amino]pentanoic acid (126 mg, 255 μmol) was combined with 4 M HCl in dioxane (191 μL, 765 μmol) in MeCN (0.7 mL, 10 mmol). The mixture was then concentrated under reduced pressure and the residue was purified by reverse phase chromatography. DCM (1 mL, 20 mmol) and isovaleryl chloride (39.9 mg, 306 μmol) were added, followed by DIPEA (133 μL, 765 μmol). The resulting mixture was stirred for 10 minutes. The solvent was evaporated and the residue was dissolved in AcOH and purified by preparative HPLC to yield the title compound (3 mg). MS m/z [M+H]+ calc'd for C27H32N4O5, 493.24. found 493.

후처리

  1. concentrationThe mixture was then concentrated under reduced pressure
  2. customthe residue was purified by reverse phase chromatography
  3. customThe solvent was evaporated
  4. dissolutionthe residue was dissolved in AcOH
  5. custompurified by preparative HPLC

출처 및 근거

ORD 기록
ord-6002197dc6844984bc6a08cae07c281c
출처 데이터셋
uspto-grants-2015_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09126956B2

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