3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid
3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid 物理性質
- 融点 :
- 97-99℃
- 沸点 :
- 402.0±45.0 °C(Predicted)
- 比重(密度) :
- 1.35
- 貯蔵温度 :
- under inert gas (nitrogen or Argon) at 2-8°C
- 外見 :
- solid
- 色:
- 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 価格
| メーカー |
製品番号 |
製品説明 |
CAS番号 |
包装 |
価格 |
更新時間 |
購入 |
3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid 化学特性,用途語,生産方法
使用
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.
合成
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 上流と下流の製品情報
原材料
準備製品
3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid 生産企業
Global( 166)Suppliers
61260-15-9()キーワード:
- 61260-15-9
- 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