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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).

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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  • 3-oxo-1,3-Dihydroisobenzofuran-l-ylphosphonic acid
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  • 61260-15-9
  • C10H11O5P