3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid
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- CAS-Nr.
- 61260-15-9
- Englisch Name:
- 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid
- Synonyma:
- Dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate;3-dimethoxyphosphoryl-3H-2-benzofuran-1-one;Olapali impurity 3;(1,3-dihydro-3-oxo-1-isobenzofuranyl)phosphonate;3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid;3-oxo-1,3-Dihydroisobenzofuran-l-ylphosphonic acid;Dimethyl (1,3-dihydro-3-oxo-1-isobenzofuranyl)phosphonate;dimethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)phosphonate;dimethyl 1,3-dihydro-3-oxoisobenzofuran-1-yl-1-phosphonate;Dimethyl P-(1,3-dihydro-3-oxo-1-isobenzofuranyl)phosphonate
- CBNumber:
- CB22609834
- Summenformel:
- C10H11O5P
- Molgewicht:
- 242.17
- MOL-Datei:
- 61260-15-9.mol
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3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid Eigenschaften
- Schmelzpunkt:
- 97-99℃
- Siedepunkt:
- 402.0±45.0 °C(Predicted)
- Dichte
- 1.35
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- Aggregatzustand
- solid
- Farbe
- White
- InChI
- InChI=1S/C10H11O5P/c1-13-16(12,14-2)10-8-6-4-3-5-7(8)9(11)15-10/h3-6,10H,1-2H3
- InChIKey
- KEKUNQAVGWOYDW-UHFFFAOYSA-N
- SMILES
- P(C1C2=C(C=CC=C2)C(=O)O1)(=O)(OC)OC
3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid Chemische Eigenschaften,Einsatz,Produktion Methoden
Verwenden
Dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate is a reagent used in the synthesis of 4-[3-(4-Cyclopropanecarbonylpiperazine-1-carbonyl)-4-fluorobenzyl]-2H-phthalazin-1-one, an inhibitor of both PARP-1 AND PARP-2 that shows standalone activity against BRCA1-deficient breast cancer cell lines.
Synthese
Sodium methoxide (2.28 g,0.042 mol) was dissolved in methanol (40 mL) into a 150 mLround-bottom flask. To this solution, dimethyl hydrogen phosphite(4.8 mL, 0.049 mol) and 2-carboxybenzaldehyde (compound5, 5.00 g, 0.033 mol) were added by dripping at 0 °Cfor 30 min. Then the mixture was stirred at room temperaturefor 8 h.
After the reaction was completed, methanesulfonicacid (3.1 mL, 0.047 mol) was added dropwise and stirred for30 min. The solvent was removed under reduced pressure,following by adding 40 mol water.
The aqueous phase wasextracted with dichloromethane for three times, the combinedorganic phase was washed with water until neutral and driedwith anhydrous sodium sulfate. Dichloromethane was evaporatedunder reduced pressure to afford 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid(4.93 g, 99%)as white solid.
1H-NMR (500 MHz, DMSO-d6) δ: 3.62 (3H,d, J = 8 Hz), 3.86 (3H, d, J = 12 Hz), 6.36 (1H, d, J = 8 Hz),7.74-7.70 (2H, m), 7.91-7.88 (1H, m), 7.98-7.96 (1H, m).
3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid Upstream-Materialien And Downstream Produkte
Upstream-Materialien
Downstream Produkte
3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid Anbieter Lieferant Produzent Hersteller Vertrieb Händler.
Global( 168)Lieferanten
61260-15-9()Verwandte Suche:
- 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid
- (3-Oxo-1,3-dihydroisobenzofuran-1-yl)phosphonic acid dimethyl ester
- Phosphonic acid, (1,3-dihydro-3-oxo-1-isobenzofuranyl)-, diMethyl ester
- Dimethyl (1,3-dihydro-3-oxo-1-isobenzofuranyl)phosphonate
- Phosphonic acid,P-(1,3-dihydro-3-oxo-1-isobenzofuranyl)-,dimethyl ester
- dimethyl 1,3-dihydro-3-oxoisobenzofuran-1-yl-1-phosphonate
- (3-Oxo-1,3-dihydroisobenzofuran-1-yl)phosphonic acid dimethy...
- dimethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)phosphonate
- Dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate
- 3-dimethoxyphosphoryl-3H-2-benzofuran-1-one
- (1,3-dihydro-3-oxo-1-isobenzofuranyl)phosphonate
- Dimethyl P-(1,3-dihydro-3-oxo-1-isobenzofuranyl)phosphonate
- 5'-deoxy-5-fluore-N-((pentoyloxy)carbonyllcytidine 2',3'-diacetate'
- Olapali impurity 3
- 3-oxo-1,3-Dihydroisobenzofuran-l-ylphosphonic acid
- 61260-15-9
- C10H11O5P
