74648-00-3

Basic information

• Product Name: [1,1'-Biphenyl]-4-acetonitrile, 2-fluoro-a-methyl-
• Synonyms: 2-(2-fluorobiphenyl-4-yl)propanenitrile;α-methyl-(2-fluoro-4-biphenylyl)acetonitrile;2-(2-fluoro-4-biphenylyl)propionitrile;α-Methyl-3-fluoro-4-phenylbenzeneacetonitrile
• CAS NO: 74648-00-3
• Molecular Formula: C15H12FN
• Molecular Weight: 225.265
• Mol File: 74648-00-3.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 345.3±30.0 °C(Predicted)
• Density: 1.113±0.06 g/cm3(Predicted)
• CAS DataBase Reference: [1,1'-Biphenyl]-4-acetonitrile, 2-fluoro-a-methyl-(CAS DataBase Reference)
• NIST Chemistry Reference: [1,1'-Biphenyl]-4-acetonitrile, 2-fluoro-a-methyl-(74648-00-3)
• EPA Substance Registry System: [1,1'-Biphenyl]-4-acetonitrile, 2-fluoro-a-methyl-(74648-00-3)

Safety Data

• Hazardous Substances Data: 74648-00-3(Hazardous Substances Data)

Usage

Description

[1,1'-Biphenyl]-4-acetonitrile, 2-fluoro-a-methyl-, also known as 2-(2-Fluoro-4-biphenyl)propionitrile, is an organic compound that serves as an intermediate in the synthesis of various pharmaceutical compounds. It is characterized by its unique molecular structure, which includes a biphenyl core, a fluorine atom, and a nitrile group.

Uses

Used in Pharmaceutical Industry:
[1,1'-Biphenyl]-4-acetonitrile, 2-fluoro-a-methylis used as an intermediate in the synthesis of 4-Acetyl-2-fluorobiphenyl (A168850), a compound with potential pharmaceutical applications. Its role in the synthesis process is crucial for the development of new drugs and therapeutic agents.
Additionally, it is an impurity of Flurbiprofen (F598700), a nonsteroidal anti-inflammatory drug (NSAID) used as an analgesic, antipyretic, and anti-inflammatory agent. In this context, [1,1'-Biphenyl]-4-acetonitrile, 2-fluoro-a-methylis used as a reference compound to monitor and control the purity of Flurbiprofen, ensuring the safety and efficacy of the final product.

Upstream product

• 41604-19-7 1-bromo-3-fluoro-4-phenylbenzene 
• 1572-99-2 ethyl 2-cyanopropionate 
• 5104-49-4 fluorobiprofen 
• 616-38-6 carbonic acid dimethyl ester 
• 632-07-5 2-cyanopropanoic acid 
• 68-12-2 N,N-dimethyl-formamide 
• 1266802-94-1 potassium 2-cyanopropanoate 
• 77860-48-1 α-methyl-4-cyclohexyl-3-fluorophenylacetonitrile 
• 137361-33-2 α-Methyl-3-fluoro-4-phenylbenzeneacetyl chloride 
• 87657-78-1 α-Methyl-3-fluoro-4-phenylbenzeneacetamide 

Downstream Products

• 5104-49-4 fluorobiprofen 
• 91503-79-6 fluorbiprofen axetil 

Relevant articles and documents

Assembly of α-(Hetero)aryl Nitriles via Copper-Catalyzed Coupling Reactions with (Hetero)aryl Chlorides and Bromides

α-(Hetero)aryl nitriles are important structural motifs for pharmaceutical design. The known methods for direct synthesis of these compounds via coupling with (hetero)aryl halides suffer from narrow reaction scope. Herein, we report that the combination of copper salts and oxalic diamides enables the coupling of a variety of (hetero)aryl halides (Cl, Br) and ethyl cyanoacetate under mild conditions, affording α-(hetero)arylacetonitriles via one-pot decarboxylation. Additionally, the CuBr/oxalic diamide catalyzed coupling of (hetero)aryl bromides with α-alkyl-substituted ethyl cyanoacetates proceeds smoothly at 60 °C, leading to the formation of α-alkyl (hetero)arylacetonitriles after decarboxylation. The method features a general substrate scope and is compatible with various functionalities and heteroaryls.

Application of novel dimethyl carbonate methylation catalyst in preparation α- methyl phenylacetic acid

The invention relates to the field, of medicine synthesis, and concretely relates to a novel dimethyl carbonate methylation catalyst α - in preparation IV methylbenzene acetic acid. as starting material I for preparing a target product, methylbenzeneacetic acid, by a methylation, decarboxylation and hydrolysis reaction, under the action of a catalyst by using a catalyst as a representative low-cost catalyst, in the form of a quaternary amine salt, and a catalyst prepared by using the catalyst as a representative low-cost catalyst, such as potassium α - potassium bromide acetate, as a catalyst, and a catalyst used in the, hydrolysis reaction of the quaternary, amine salt. IV. 98%. The preparation method comprises the following steps: preparing a target product from the quaternary ammonium. salt solution.

Preparation method of flurbiprofen and preparation method of flurbiprofen axetil

The invention relates to the field of pharmaceutical chemical synthesis, in particular to a preparation method of flurbiprofen and a preparation method of flurbiprofen axetil. The preparation method of the flurbiprofen comprises the steps of carrying out a Grignard reaction by using 4-bromine-2-fluorine biphenyl as a raw material, carrying out a coupling reaction, and acidizing to obtain the flurbiprofen; the yield is 90%, and the purity is 99.5%; then, the flurbiprofen axetil is prepared by using the flurbiprofen, obtained by the method, as a raw material, the yield reaches up to 90%, and thepurity reaches up to 99.5%. The preparation methods are high in quality controllability and industrial reproducibility.