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Propargyl alcohol → 3-(2-(4-(Pyridin-2-ylamino)phenoxy)pyridin-3-YL)prop-2-YN-1-OL

HRID 473632
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HRID 473632 반응식
I[C:2]1[C:3]([O:8][C:9]2[CH:14]=[CH:13][C:12]([NH:15][C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][N:17]=3)=[CH:11][CH:10]=2)=[N:4][CH:5]=[CH:6][CH:7]=1.C(N(CC)CC)C.[CH2:29]([OH:32])[C:30]#[CH:31]>C1COCC1.[Cu]I.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1>[N:17]1[CH:18]=[CH:19][CH:20]=[CH:21][C:16]=1[NH:15][C:12]1[CH:13]=[CH:14][C:9]([O:8][C:3]2[C:2]([C:31]#[C:30][CH2:29][OH:32])=[CH:7][CH:6]=[CH:5][N:4]=2)=[CH:10][CH:11]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 3

HCID 7859Propargyl alcoholHCID 8471TriethylamineHCID 59373959N-(4-(3-Iodopyridin-2-yloxy)phenyl)pyridin-2-amine

생성물 1

HCID 593739563-(2-(4-(Pyridin-2-ylamino)phenoxy)pyridin-3-YL)prop-2-YN-1-OL

시약·촉매·용매 3

HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)촉매
HCID 178418476
HCID 178418476, 화합물
촉매
HCID 8028Tetrahydrofuran용매

실험 절차

A mixture of N-(4-(3-iodopyridin-2-yloxy)phenyl)pyridin-2-amine (0.300 g, 0.771 mmol), copper(I) iodide (3.91 μL, 0.116 mmol), trans-dichlorobis(triphenyl-phosphine)palladium (II) (0.034 g, 0.048 mmol), triethylamine (0.800 mL, 5.74 mmol) and propargyl alcohol (0.150 mL, 2.54 mmol) in THF (5 mL) was stirred at rt under an atmosphere of argon for 3.5 h. The reaction was evaporated onto silica gel and purified by flash chromatography (Isco, (60 gram)) eluting with 2M NH3 in MeOH:CH2Cl2 (0:1→3:97). The material was stirred over MeOH, filtered and dried in vacuo to give a white crystalline solid. MS (ESI, pos. ion) m/z: 318.0. IC50 (uM)=0.2612.

후처리

  1. customThe reaction was evaporated onto silica gel
  2. custompurified by flash chromatography (Isco, (60 gram))
  3. washeluting with 2M NH3 in MeOH:CH2Cl2 (0:1→3:97)
  4. stirringThe material was stirred over MeOH
  5. filtrationfiltered
  6. customdried in vacuo
  7. customto give a white crystalline solid

출처 및 근거

ORD 기록
ord-d52139cd7bfe4774b7879c522f277c8e
출처 데이터셋
uspto-grants-2014_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08637500B2

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