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Hydrochloric Acid → HCID 90033544, 화합물

HRID 520701
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HRID 520701 반응식
Cl.[NH2:2][C:3]1[CH:8]=[CH:7][C:6]([OH:9])=[CH:5][N:4]=1.CC[N:12]([CH2:15][CH3:16])[CH2:13][CH3:14].CN1C(C)=[C:21]([C:24](O)=[O:25])[C:20](=[O:27])[N:19]1[C:28]1C=CC=CC=1.[CH:34]1[CH:39]=NC2N(O)N=N[C:36]=2[CH:35]=1.CCN=C=NCCCN(C)C.Cl>CN(C=O)C.O>[OH:9][C:6]1[CH:7]=[CH:8][C:3]([NH:2][C:24]([C:21]2[C:20](=[O:27])[N:19]([CH3:28])[N:12]([C:13]3[CH:14]=[CH:36][CH:35]=[CH:34][CH:39]=3)[C:15]=2[CH3:16])=[O:25])=[N:4][CH:5]=1
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참가 물질

9

반응물 6

HCID 313Hydrochloric AcidHCID 8471Triethylamine2회HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 181649HOAtHCID 246564Antipyric acidHCID 457908886-Aminopyridin-3-ol--hydrogen chloride (1/1)

생성물 1

HCID 90033544
HCID 90033544, 화합물
수율 78.4%

시약·촉매·용매 2

HCID 962Water용매HCID 6228Dimethylformamide용매2회

실험 절차

A suspension of 2-amino-5-hydroxypyridine hydrochloride (500 mg, 3.41 mmol) and Et3N (0.77 mL, 5.5 mmol) in DMF (8 mL) was stirred at rt for 1 hour. At the same time, to a solution of 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid (0.64 g, 2.75 mmol), HOAT (449 mg, 3.3 mmol) and EDCI (0.63 g, 3.3 mmol) in DMF (8 mL) was added Et3N (0.77 mL, 5.5 mmol) drop wise. The mixture was stirred at rt for 1 hour, followed by the addition of the above prepared mixture. The reaction was heated at 60° C. for 5 hours, then cooled to rt and diluted with water (150 mL). and adjust to pH=6 with HCl (1 M). The mixture was extracted with EtOAc (20 mL×4), and the combined organic phases were washed with brine (20 mL), dried over anhydrous Na2SO4, and concentrated in vacuo. The residue was purified by a silica gel column chromatography (DCM/MeOH (v/v)=10/1) to give the title compound as a pale yellow solid (699 mg, 78%).

후처리

  1. stirringThe mixture was stirred at rt for 1 hour
  2. additionfollowed by the addition of the above prepared mixture
  3. temperatureThe reaction was heated at 60° C. for 5 hours
  4. temperaturecooled to rt
  5. extractionThe mixture was extracted with EtOAc (20 mL×4)
  6. washthe combined organic phases were washed with brine (20 mL)
  7. dry with materialdried over anhydrous Na2SO4
  8. concentrationconcentrated in vacuo
  9. customThe residue was purified by a silica gel column chromatography (DCM/MeOH (v/v)=10/1)

출처 및 근거

ORD 기록
ord-2f63e8c26b354c99988935984df728ee
출처 데이터셋
uspto-grants-2016_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09326975B2

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