61260-15-9

Basic information

• Product Name: 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid
• Synonyms: 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid;(3-Oxo-1,3-dihydroisobenzofuran-1-yl)phosphonic acid dimethyl ester;Dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate;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
• CAS NO: 61260-15-9
• Molecular Formula: C₁₀H₁₁O₅P
• Molecular Weight: 242.17
• Mol File: 61260-15-9.mol
• Article Data: 29

Chemical Properties

• Melting Point: 97-99℃
• Boiling Point: 402.0±45.0 °C(Predicted)
• Appearance: /
• Density: 1.35
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid(61260-15-9)
• EPA Substance Registry System: 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid(61260-15-9)

Safety Data

• Hazardous Substances Data: 61260-15-9(Hazardous Substances Data)

Usage

Description

3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid is a chemical compound that serves as a pharmaceutical intermediate, playing a crucial role in the synthesis of various pharmaceuticals.

Uses

Used in Pharmaceutical Industry:
3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid is used as a pharmaceutical intermediate for the synthesis of specific pharmaceutical compounds, such as 4-[3-(4-Cyclopropanecarbonylpiperazine-1-carbonyl)-4-fluorobenzyl]-2H-phthalazin-1-one. 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid is an inhibitor of both PARP-1 and PARP-2 enzymes, which have been identified as potential therapeutic targets in cancer treatment. It demonstrates standalone activity against BRCA1-deficient breast cancer cell lines, making it a valuable asset in the development of novel cancer treatments.
Additionally, 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid can be utilized in the development of other pharmaceuticals targeting various diseases and conditions, given its role as a key intermediate in the synthesis process. Its versatility in pharmaceutical synthesis experiments makes it an important compound in the field of drug discovery and development.

Upstream product

• 868-85-9 Dimethyl phosphite 
• 119-67-5 o-carboxybenzaldehyde 
• 1696-17-9 N,N-diethylbenzamide 
• 77420-44-1 2-formyl-N,N-diethyl-1-benzamide 
• 16859-59-9 3-hydroxy-1(3H)-isobenzofuranone 
• 124-41-4 sodium methylate 
• 96-36-6 methyl phosphite 
• 7664-93-9 sulfuric acid 
• 35387-95-2 methyl-2-iodo-3-methoxybenzoate 
• 67-56-1 methanol 
• 813-78-5 dimethylphosphoric acid 

Downstream Products

• 80301-48-0 4,9-dihydroxynaphtho<2,3-c>cyclohexen-1-one 
• 42086-70-4 (E)-3-(3',4'-methylenedioxy)benzylidenephthalide 
• 42086-75-9 3-(benzo[d][1,3]dioxol-5-ylmethylene)isobenzofuran-1(3H)-one 
• 134435-11-3 dimethyl 1-(2-nitro-1-phenylethyl)-3-oxo-1,3-dihydroisobenzofuran-1ylphosphonate 
• 134435-14-6 3-<1-(4-chlorophenyl)-2-nitroethyl>isobenzofuran-1(3H)-one 
• 134435-13-5 dimethyl 1-<1-(4-chlorophenyl)-2-nitroethyl>-3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonate 
• 148345-05-5 (Z)-3-(3,4,5-trimethoxyphenylmethylidene)isobenzofuran-1(3H)-one 
• 4741-67-7 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid 
• 134435-16-8 methyl 3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonate 
• 68726-79-4 4,9-dihydroxynaphtho<2,3-c>furan-1(3H)-one 
• 59279-02-6 dimethyl 1,4-dihydroxynaphthalene-2,3-dicarboxylate 
• 148345-07-7 (Z)-3-(3,4-dimethoxybenzylidene)isobenzofuran-1(3H)-one 
• 40420-48-2 2-acetylnaphthalene-1,4-diol 
• 76681-73-7 (E)-3-butylidene-3H-isobenzofuran-1-one 

Relevant articles and documents

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Preparation method of 2-fluoro-5-[(4-oxo-3H-2,3-diazanaphthalene)methyl]benzoic acid

The invention discloses a preparation method of 2-fluoro-5-[(4-oxo-3H-2,3-diazanaphthalene)methyl]benzoic acid, wherein the method comprises the steps: S1, preparation of (3-oxo-1,3-dihydroisobenzofuran-1-yl)dimethyl phosphate; S2, preparation of 2-fluoro-5-(3-oxo-3H-isobenzofuran-1-yl methylene)bromobenzene; S3, preparation of 2-fluoro-5-(3-oxo-3H-isobenzofuran-1-yl methylene)methyl benzoate; and S4, preparation of 2-fluoro-5-[(4-oxo-3H-2,3-diazanaphthalene)methyl]benzoic acid. The preparation method has the advantages of simple operation, mild reaction conditions, easy purification of the intermediates, increase of the total yield compared with the prior art, and reduction of the industrial cost.

Scalable 18F processing conditions for copper-mediated radiofluorination chemistry facilitate DoE optimization studies and afford an improved synthesis of [18F]olaparib

A convenient and scalable base-free method for processing [18F]fluoride as [18F]TBAF is reported and applied to copper-mediated radiofluorination radiosyntheses. A central feature of this method is that a single production of [18F]TBAF can be divided into small aliquots that can be used to perform multiple small-scale reactions in DoE optimization studies. The results of these studies can then be reliably translated to full batch tracer productions using automated synthesizers. The processing method was applied to the DoE optimization of [18F]olaparib, affording the tracer in high radiochemical yields via both manual (%RCY = 78 ± 6%, n = 4 (CMRF step only)) and automated (up to 80% (%RCY); 41% activity yield (%AY)) radiosynthesis procedures.