ChemicalBook > CAS DataBase List > 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid
3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid
Description Appearance- Product Name
- 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid
- CAS No.
- 61260-15-9
- Chemical Name
- 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid
- Synonyms
- 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 (3-oxo-1,3 dihydro-2-benzofur-1yl)phosphonate;Dimethyl(3-oxo-1,3dihydroisobenzfuran-1-yl) phosphonate;Dimethyl (1,3-dihydro-3-oxo-1-isobenzofuranyl)phosphonate;dimethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)phosphonate
- CBNumber
- CB22609834
- Molecular Formula
- C10H11O5P
- Formula Weight
- 242.17
- MOL File
- 61260-15-9.mol
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3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid Property
- Melting point:
- 97-99℃
- Boiling point:
- 402.0±45.0 °C(Predicted)
- Density
- 1.35
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- form
- solid
- color
- 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
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Safety
- HS Code
- 2932990090
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Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
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N-Bromosuccinimide Price
TRC
- Product number
- D476222
- Product name
- Dimethyl(3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate
- Packaging
- 5g
- Price
- $90
- Updated
- 2021/12/16
Ark Pharm
- Product number
- AK-80341
- Product name
- Dimethyl(3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate
- Purity
- 98%
- Packaging
- 25g
- Price
- $85
- Updated
- 2021/12/16
Matrix Scientific
- Product number
- 094851
- Product name
- Dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate
- Purity
- 95+%
- Packaging
- 1g
- Price
- $1260
- Updated
- 2021/12/16
AK Scientific
- Product number
- 9166AB
- Product name
- Dimethyl(3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate
- Packaging
- 100g
- Price
- $492
- Updated
- 2021/12/16
American Custom Chemicals Corporation
- Product number
- CHM0392096
- Product name
- DIMETHYL(3-OXO-1,3-DIHYDROISOBENZOFURAN-1-YL)PHOSPHONATE
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $498.8
- Updated
- 2021/12/16
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3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid Chemical Properties,Usage,Production
Description
3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid can be used as a pharmaceutical intermediate for pharmaceutical synthesis experiments.
Appearance
White crystal
Uses
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.
Synthesis
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).
References
[1] Patent: WO2006/21801, 2006, A1. Location in patent: Page/Page column 43
[2] Patent: WO2012/71684, 2012, A1. Location in patent: Page/Page column 23
[3] Patent: US2013/224107, 2013, A1. Location in patent: Paragraph 0139; 0140
3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid manufacturers
Nanjing Fred Technology Co., Ltd
- Product
- Dimethyl 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonate 61260-15-9
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1 ton
- Release date
- 2023-12-27
PharmOrgSyn Laboratories Co., Ltd.
- Product
- Dimethyl (1,3-dihydro-3-oxo-1-isobenzofuranyl)phosphonate 61260-15-9
- Price
- US $290.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 20 TONS
- Release date
- 2023-11-03
Hong Kong Tiansheng New Material Trading Co., Ltd
- Product
- 3-dimethoxyphosphoryl-3H-2-benzofuran-1-one 61260-15-9
- Price
- US $5.90/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 10KG
- Release date
- 2021-09-24
61260-15-9, 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acidRelated Search:
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