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 can be used as a pharmaceutical intermediate for pharmaceutical synthesis experiments.

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.

Upstream product

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

Downstream Products

• 42086-70-4 (E)-3-(3',4'-methylenedioxy)benzylidenephthalide 
• 42086-75-9 3-(benzo[d][1,3]dioxol-5-ylmethylene)isobenzofuran-1(3H)-one 
• 160882-17-7 3-Indan-2-ylidene-3H-isobenzofuran-1-one 
• 1446321-90-9 3-(imidazo[1,2-a]pyridin-8-ylmethyl)isobenzofuran-1(3H)-one 
• 1446321-43-2 3-(imidazo[1,2-a]pyridin-8-ylmethyl)-1,3-dihydroisobenzofuran-1-ol 
• 1622867-01-9 C₂₂H₂₂N₄O₃S 
• 1622867-02-0 C₂₅H₂₈N₄O₃S 
• 1622867-03-1 C₂₀H₂₀N₄O₃S 
• 1622867-04-2 C₂₁H₂₂N₄O₃S 
• 1622867-05-3 C₂₆H₂₄N₄O₃S 
• 1622867-06-4 C₂₇H₂₆N₄O₄S 
• 1622867-07-5 C₂₅H₂₂N₄O₃S 
• 1622867-08-6 C₂₆H₂₄N₄O₃S 
• 1622867-09-7 C₂₅H₂₁N₅O₅S 

Relevant articles and documents

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Novel synthesis method of olaparib bulk drug

The invention introduces a novel synthesis method of an antitumor drug, namely olaparib. According to the invention, a dimer impurity is effectively removed by an acid-base pouring method in virtue of the different chemical properties that the dimer impurity cannot form salt and a previous intermediate of olaparib can form salt, and the HPLC purity of the obtained finished product can reach 99.9%. According to a route in the invention, the yield of the olaparib finished product is effectively improved, the total yield of six steps reaches 42.4%, and the route has important significance on industrial production of olaparib.

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.