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P-Toluenesulfonamide → HCID 178427614, 화합물

HRID 1470320
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HRID 1470320 반응식
[OH:1][C:2]1[C:7]([C:8]([OH:10])=O)=[CH:6][N:5]=[C:4]([C:11]2[N:12]=[N:13][CH:14]=[CH:15][CH:16]=2)[N:3]=1.OC1C(C(OC)=O)=CN=C(C2N=NC=CC=2)N=1.[OH-].[Na+].C(OC1C(C(OCC)=O)=CN=C(N2C=CC=N2)N=1)C1C=CC=CC=1.C(OC1C(C(O)=O)=CN=C(N2C=CC=N2)N=1)C1C=CC=CC=1.[CH3:82][C:83]1[CH:84]=[CH:85][C:86]([S:89]([NH2:92])(=[O:91])=[O:90])=[CH:87][CH:88]=1.C(N(CC)CC)C>S(Cl)(Cl)=O.CN(C1C=CN=CC=1)C>[OH:1][C:2]1[C:7]([C:8]([NH:92][S:89]([C:86]2[CH:87]=[CH:88][C:83]([CH3:82])=[CH:84][CH:85]=2)(=[O:90])=[O:91])=[O:10])=[CH:6][N:5]=[C:4]([C:11]2[N:12]=[N:13][CH:14]=[CH:15][CH:16]=2)[N:3]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

10

반응물 7

HCID 6269P-ToluenesulfonamideHCID 8471TriethylamineHCID 14798Sodium HydroxideHCID 674594834-(benzyloxy)-2-(1H-pyrazol-1-yl)pyrimidine-5-carboxylic acidHCID 67460482Ethyl 4-(benzyloxy)-2-(1H-pyrazol-1-yl)pyrimidine-5-carboxylateHCID 178498780HCID 178498780, 화합물
HCID 178524753
HCID 178524753, 화합물

생성물 1

HCID 178427614HCID 178427614, 화합물수율 50%

시약·촉매·용매 2

HCID 142844-(Dimethylamino)pyridine촉매HCID 24386Thionyl Chloride용매

실험 절차

4-hydroxy-2-(pyridazin-3-yl)pyrimidine-5-carboxylic acid, 13-b, (350 mg, 1.6 mmol, which was prepared from compound 1-e via sodium hydroxide hydrolysis in a similar manner as the conversion of 3-b to 3-c) in thionyl chloride (10 ml) was heated at reflux for 4 h. The mixture was concentrated under vacuum and the residue was co-evaporated with dichloromethane twice. The remaining oil was dissolved in dichloromethane (10 ml). p-toluenesulfonamide (329 mg, 1.93 mmol), triethylamine (486 mg, 4.82 mmol) and DMAP (390 mg, 3.2 mmol) were added to the solution at room temperature. The mixture was subsequently stirred at room temperature overnight. The mixture was then concentrated under vacuum and the residue was diluted with water (10 ml). The solid crashed out and then filtered out of the solution. The solids were then recrystallization in methanol/ethyl acetate to afford compound 13-1 (300 mg, 50%). 1H NMR (DMSO-d6, 300 MHz): δ 12.92 (br, 1H), 9.51 (s, 1H), 8.53 (s, 2H), 8.00 (m, 3H), 7.46 (s, 2H), 2.41 (s, 3H). (M+H)+=372.1.

후처리

  1. temperaturewas heated
  2. temperatureat reflux for 4 h
  3. concentrationThe mixture was concentrated under vacuum
  4. dissolutionThe remaining oil was dissolved in dichloromethane (10 ml)
  5. concentrationThe mixture was then concentrated under vacuum
  6. additionthe residue was diluted with water (10 ml)
  7. filtrationfiltered out of the solution
  8. customrecrystallization in methanol/ethyl acetate

출처 및 근거

ORD 기록
ord-3f270b6372414e1ea95493bcd6e4578a
출처 데이터셋
uspto-grants-2015_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09006433B2

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