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

Description

Propanedinitrile, 2-[Methoxy(4-phenoxyphenyl)Methylene]-, also known as 2-(4-phenoxybenzylidene)malononitrile, is an organic compound characterized by its chemical formula C17H13NO2. It presents as a yellow crystalline powder and is widely recognized for its role in the synthesis of various organic compounds and as a chemical reagent in laboratory settings. This versatile chemical is also utilized in the production of dyes, pharmaceuticals, and agrochemicals, and its biological activities have positioned it as a potential candidate for applications in medicine and biotechnology.

Uses

Used in Chemical Synthesis:
Propanedinitrile, 2-[Methoxy(4-phenoxyphenyl)Methylene]is used as a key intermediate in the synthesis of a variety of organic compounds due to its reactive functional groups and structural properties.
Used in Laboratory Experiments:
As a chemical reagent, Propanedinitrile, 2-[Methoxy(4-phenoxyphenyl)Methylene]is employed in laboratory experiments for its ability to facilitate specific chemical reactions and to study its properties and behavior under controlled conditions.
Used in Dye Production:
Propanedinitrile, 2-[Methoxy(4-phenoxyphenyl)Methylene]is used as a precursor in the production of dyes, contributing to the development of colorants for various applications, including textiles, plastics, and printing inks.
Used in Pharmaceutical Industry:
In the pharmaceutical sector, Propanedinitrile, 2-[Methoxy(4-phenoxyphenyl)Methylene]is utilized in the development of new drugs, potentially serving as an active pharmaceutical ingredient or a crucial component in the synthesis of medicinal compounds.
Used in Agrochemicals:
Propanedinitrile, 2-[Methoxy(4-phenoxyphenyl)Methylene]is also used in the agrochemical industry, where it may be involved in the creation of pesticides, herbicides, or other agricultural chemicals to enhance crop protection and yield.
Used in Medicine and Biotechnology:
Due to its biological activities, Propanedinitrile, 2-[Methoxy(4-phenoxyphenyl)Methylene]is explored for potential applications in medicine and biotechnology, possibly serving as a therapeutic agent or a tool in biotechnological processes.

Upstream product

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

Downstream Products

• 1207476-93-4 C₂₄H₁₉N₃O₂ 
• 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 
• 330786-24-8 3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 

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.).