330792-69-3

Basic information

• Product Name: Propanedinitrile, 2-[Methoxy(4-phenoxyphenyl)Methylene]-
• Synonyms: Propanedinitrile, 2-[Methoxy(4-phenoxyphenyl)Methylene]-;2-(Methoxy(4-phenoxyphenyl)Methylene)Malononitrile;1,1-Dicyano-2-methoxy-2-(4-phenoxyphenyl)ethene;2-[Methoxy(4-phenoxyphenyl)methylene]propanedinitrile;2-[(4-phenoxy-phenyl)-methoxy-methylene]-malononitrile;Intermediate of Ibrutinib, Note separate 2-[(4-phenoxy-phenyl)-methoxy-methylene]-malononitrile
• CAS NO: 330792-69-3
• Molecular Formula: C₁₇H₁₂N₂O₂
• Molecular Weight: 276.28938
• Mol File: 330792-69-3.mol
• Article Data: 40

Chemical Properties

• Boiling Point: 471.1±45.0 °C(Predicted)
• Appearance: /
• Density: 1.199±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• CAS DataBase Reference: Propanedinitrile, 2-[Methoxy(4-phenoxyphenyl)Methylene]-(CAS DataBase Reference)
• NIST Chemistry Reference: Propanedinitrile, 2-[Methoxy(4-phenoxyphenyl)Methylene]-(330792-69-3)
• EPA Substance Registry System: Propanedinitrile, 2-[Methoxy(4-phenoxyphenyl)Methylene]-(330792-69-3)

Safety Data

• Hazardous Substances Data: 330792-69-3(Hazardous Substances Data)

Usage

General Description

Propanedinitrile, 2-[Methoxy(4-phenoxyphenyl)Methylene]-, also known as 2-(4-phenoxybenzylidene)malononitrile, is an organic compound with the chemical formula C17H13NO2. It is a yellow crystalline powder that is commonly used in the synthesis of organic compounds and as a chemical reagent in laboratory experiments. This chemical is also known for its use in the production of dyes, pharmaceuticals, and agrochemicals. Additionally, it has been found to exhibit biological activities, making it a potential candidate for various applications in the field of medicine and biotechnology.

Upstream product

• 330792-68-2 2-[hydroxy-(4-phenoxy-phenyl)-methylene]-malononitrile 
• 77-78-1 dimethyl sulfate 
• 67-56-1 methanol 
• 2215-77-2 4-Phenoxybenzoic acid 
• 1623-95-6 4-phenoxybenzoyl chloride 
• 109-77-3 malononitrile 
• 149-73-5 trimethyl orthoformate 
• 459-57-4 4-fluorobenzaldehyde 
• 108-95-2 phenol 
• 619-44-3 methyl 4-iodobenzoate 
• 21218-94-0 methyl 4-phenoxybenzoate 
• 18107-18-1 diazomethyl-trimethyl-silane 

Downstream Products

• 1207476-93-4 C₂₄H₁₉N₃O₂ 
• 330792-70-6 5-amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile 
• 1418272-57-7 C₃₃H₃₉N₇O₅ 
• 1418270-10-6 (R,E)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidin-1-yl)-4-(2-methoxyethylamino)but-2-en-1-one 
• 1418272-59-9 C₂₅H₂₃BrN₆O₂ 
• 1418272-63-5 C₃₃H₃₇N₇O₄ 
• 1418270-73-1 (R,E)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidin-1-yl)-4-(cyclopropylamino)but-2-en-1-one 
• 1418270-14-0 (R,E)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidin-1-yl)-4-((2-methoxyethyl)(methyl)amino)but-2-en-1-one 
• 1418272-69-1 C₂₃H₁₆N₆O₃ 
• 1418272-70-4 C₂₈H₂₄N₆O₅ 
• 1418272-71-5 C₂₈H₂₆N₆O₃ 
• 1418272-72-6 C₂₉H₂₈N₆O₃ 
• 1418270-24-2 (R,E)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidin-1-yl)-4-(methyl(pyridin-2-yl)amino)but-2-en-1-one 
• 1418270-28-6 (R,E)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidin-1-yl)-4-(dicyclopropylamino)but-2-en-1-one 

Relevant articles and documents

PROCESSES AND INTERMEDIATES FOR PREPARING A BTK INHIBITOR

Disclosed is a process for the preparation of certain intermediates, e.g. process for preparing a compound of formula (I) or a pharmaceutically acceptable salt thereof, in an enantioenriched form, which intermediate and processes are useful in the preparation of a BTK inhibitor, such as ibrutinib.

TREATMENT OF INDOLENT OR AGGRESSIVE B-CELL LYMPHOMAS USING A COMBINATION COMPRISING BTK INHIBITORS

Disclosed herein is a method for the prevention, delay of progression or treatment of indolent or aggressive B-cell lymphomas in an individual in need thereof, comprising administering a Btk inhibitor (in particularly (S)-7-(1-acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo-[1,5-a]pyrimidine-3-carboxamide or a pharmaceutically acceptable salt thereof) in combination with an anti-PD-1 antibody. The potent and selective BTK inhibitor in combination with the anti-PD-1 antibody have a manageable toxicity profile in patients with indolent and aggressive lymphomas.

Catalytic Azido-Hydrazination of Alkenes Enabled by Visible Light: Mechanistic Studies and Synthetic Applications

A visible-light-enabled catalytic intermolecular azido-hydrazination method for unactivated alkenes is developed via an orderly radical addition sequence. This transformation features metal-free and redox-neutral conditions and is applicable to a wide range of alkenes with commercially available reagents. Mechanistic and kinetic studies reveal that the efficient generation of azide radical enabled by fluorenone under visible-light is critical to this methodology. The β-azido alkyl hydrazines prepared with this reaction can be conveniently derived to valuable synthetic building blocks, and one of the products has been successfully applied in the total synthesis of (±)-ibrutinib, which is used to treat B cell cancers. (Figure presented.).