홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Hexamethyldisilazane → {6-[3-Isopropoxy-5-(2-thiophen-3-yl-ethoxy)-benzoylamino]-pyridin-3-yl}-methylphosphinic acid

HRID 1430981
노트
인쇄 미리보기

반응식

HRID 1430981 반응식
C([O:3][P:4]([C:7]1[CH:8]=[N:9][C:10]([NH:13][C:14](=[O:33])[C:15]2[CH:20]=[C:19]([O:21][CH2:22][CH2:23][C:24]3[CH:28]=[CH:27][S:26][CH:25]=3)[CH:18]=[C:17]([O:29][CH:30]([CH3:32])[CH3:31])[CH:16]=2)=[CH:11][CH:12]=1)([CH3:6])=[O:5])C.C[Si](N[Si](C)(C)C)(C)C.C[Si](Br)(C)C.[Si](I)(C)(C)C>C(Cl)Cl>[CH:30]([O:29][C:17]1[CH:16]=[C:15]([CH:20]=[C:19]([O:21][CH2:22][CH2:23][C:24]2[CH:28]=[CH:27][S:26][CH:25]=2)[CH:18]=1)[C:14]([NH:13][C:10]1[N:9]=[CH:8][C:7]([P:4]([CH3:6])(=[O:3])[OH:5])=[CH:12][CH:11]=1)=[O:33])([CH3:32])[CH3:31]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 13838HexamethyldisilazaneHCID 76113BromotrimethylsilaneHCID 85247Trimethylsilyl iodideHCID 58528997{6-[3-Isopropoxy-5-(2-thiophen-3-yl-ethoxy)-benzoylamino]-pyridin-3-yl}-methyl-phosphinic acid ethyl ester

생성물 1

HCID 58528841{6-[3-Isopropoxy-5-(2-thiophen-3-yl-ethoxy)-benzoylamino]-pyridin-3-yl}-methylphosphinic acid수율 54.7%

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

To a solution of {6-[3-isopropoxy-5-(2-thiophen-3-yl-ethoxy)-benzoylamino]-pyridin-3-yl}-methyl-phosphinic acid ethyl ester (469 mg, 0.960 mmol) in DCM (10 mL) was added HMDS (1.62 mL, 7.68 mmol) and TMSBr (0.51 mL, 3.84 mmol) at rt. Stirred at rt overnight. TMSI (0.07 mL, 0.480 mmol) was added to the milky mixture on the second day. Stirred at rt for 1.5 hr. The mixture was concentrated, re-dissolved in EtOAc (10 mL), and filtered through a 0.4 μm syringe filter to remove insoluble NH4Br. The filtrate was concentrated and the residue was dissolved in MeOH (10 mL), stirred at rt for 3 hr, and concentrated again. The resulting residue was partitioned between EtOAc and water. After layers were separated, the aqueous layer was extracted with EtOAc (2×). Combined EtOAc layers were washed with brine (1×), dried with anhydrous MgSO4, filtered, and concentrated to give {6-[3-Isopropoxy-5-(2-thiophen-3-yl-ethoxy)-benzoylamino]-pyridin-3-yl}-methylphosphinic acid (242 mg, 53%) as a yellow foam. 1H NMR (300 MHz, DMSO-d6): δ 11.08 (br, 1H), 8.68 (ddd, J=6, 2, 1 Hz, 1H), 8.32 (m, 1H), 8.14 (m, 1H), 7.51 (dd, J=5, 3 Hz, 1H), 7.36 (dd, J=3, 2 Hz, 1H), 7.24 (m, 1H), 7.20 (m, 1H), 7.15 (dd, J=5, 1 Hz, 1H), 6.71 (m, 1H), 4.77 (m, 1H), 4.28 (m, 2H). 3.11 (m, 2H), 1.58 (d, J=15 Hz, 3H), 1.30 (d, J=6 Hz, 6H); LC-MS (m/z): 461.3 [C23H25N2O5PS+H]+. Anal. Calcd. for (C23H25N2O5PS+1.1H2O): C, 55.02; H, 5.71; N, 5.83. Found: C, 55.02; H, 5.31; N, 5.44.

후처리

  1. stirringStirred at rt for 1.5 hr
  2. concentrationThe mixture was concentrated
  3. dissolutionre-dissolved in EtOAc (10 mL)
  4. filtrationfiltered through a 0.4 μm syringe
  5. filtrationfilter
  6. customto remove insoluble NH4Br
  7. concentrationThe filtrate was concentrated
  8. dissolutionthe residue was dissolved in MeOH (10 mL)
  9. stirringstirred at rt for 3 hr
  10. concentrationconcentrated again
  11. customThe resulting residue was partitioned between EtOAc and water
  12. customAfter layers were separated
  13. extractionthe aqueous layer was extracted with EtOAc (2×)
  14. washCombined EtOAc layers were washed with brine (1×)
  15. dry with materialdried with anhydrous MgSO4
  16. filtrationfiltered
  17. concentrationconcentrated

출처 및 근거

ORD 기록
ord-5a7c0bb5963f4c1592d446d929d68eaf
출처 데이터셋
uspto-grants-2015_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08940927B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트