75115-00-3

Basic information

• Product Name: 3-methyl -4,5-diphenyl-4,5-didydro-isoxazole
• Synonyms: 3-methyl -4,5-diphenyl-4,5-didydro-isoxazole;3-methyl-4,5-diphenylisoxazole;Parecoxib Sodium ImpurityM
• CAS NO: 75115-00-3
• Molecular Formula: C₁₆H₁₃NO
• Molecular Weight: 235.28
• EINECS: -0
• Mol File: 75115-00-3.mol
• Article Data: 5

Chemical Properties

• Melting Point: 93-94 °C
• Boiling Point: 338.0±21.0 °C(Predicted)
• Appearance: /
• Density: 1.108±0.06 g/cm3(Predicted)
• PKA: -2.68±0.50(Predicted)
• CAS DataBase Reference: 3-methyl -4,5-diphenyl-4,5-didydro-isoxazole(CAS DataBase Reference)
• NIST Chemistry Reference: 3-methyl -4,5-diphenyl-4,5-didydro-isoxazole(75115-00-3)
• EPA Substance Registry System: 3-methyl -4,5-diphenyl-4,5-didydro-isoxazole(75115-00-3)

Safety Data

• Hazardous Substances Data: 75115-00-3(Hazardous Substances Data)

Usage

Description

3-methyl -4,5-diphenyl-4,5-didydro-isoxazole is an organic compound with the molecular formula C16H15NO. It is characterized by the presence of an isoxazole ring with a methyl group and two phenyl groups attached to it. 3-methyl -4,5-diphenyl-4,5-didydro-isoxazole is known for its structural stability and diverse chemical properties, making it a versatile molecule in various applications.

Uses

Used in Pharmaceutical Industry:
3-methyl -4,5-diphenyl-4,5-didydro-isoxazole is used as an impurity in the production of Parecoxib (P193275), which is an anti-inflammatory and analgesic drug. Its presence in the manufacturing process of Parecoxib is crucial for the development of the drug's therapeutic effects. 3-methyl -4,5-diphenyl-4,5-didydro-isoxazole plays a role in modulating the drug's efficacy and potency, ensuring the desired pharmacological outcomes are achieved.

Upstream product

• 101-84-8 diphenylether 
• 1722-69-6 3,4-diphenylbut-3-en-2-one 
• 16114-53-7 4-iodo-3-methyl-5-phenylisoxazole 
• 98-80-6 phenylboronic acid 
• 1721-87-5 Z-1,1-diphenylbuten-3-one oxime 
• 75115-04-7 4-Bromo-3-methyl-5,5-diphenyl-4,5-dihydro-isoxazole 
• 3475-29-4 3,4-diphenyl-but-3-en-2-one oxime 

Relevant articles and documents

NHC-palladium-catalyzed ionic liquid-accelerated regioselective oxyarylation of alkynes with diaryl ethers?

The first NHC-palladium-catalyzed regioselective oxyarylation of oxime ether in a task-specific ionic liquid via C(sp3)-O and C(sp2)-O bond cleavage of two different types of ethers for the assembly of structurally diverse 4-arylisoxazoles is described. Both the basic ionic liquid [C3NH2mim]Br and NHC-Pd catalyst IPr-Pd-Im-Cl2 played an important role in this transformation. Notably, this new approach provides a practical and straightforward route to access a broad range of privileged 4-arylisoxazole structures with good yields and excellent regioselectivities. Significantly, this catalytic system can be recycled up to eight times without significant loss of catalytic activity.

Highly Site Selective Formal [5+2] and [4+2] Annulations of Isoxazoles with Heterosubstituted Alkynes by Platinum Catalysis: Rapid Access to Functionalized 1,3-Oxazepines and 2,5-Dihydropyridines

Platinum-catalyzed formal [5+2] and [4+2] annulations of isoxazoles with heterosubstituted alkynes enabled the atom-economical synthesis of valuable 1,3-oxazepines and 2,5-dihydropyridines, respectively. Importantly, this Pt catalysis not only led to unique reactivity dramatically divergent from that observed under Au catalysis, but also proceeded via unprecedented α-imino platinum carbene intermediates.

Halogenation of Vinyl Ketoximes. Synthesis of Isoxazoles and Preparation and Silver Ion-Promoted Reactions of 4-Halo-2-isoxazolines

Reaction of several α,β-unsaturated ketoximes with N-bromosuccinimide (NBS) gave isoxazoles, but yields were lower and the reaction less general than a similar transformation using iodine under basic conditions.With β,β-disubstituted oximes, 4-halo-5,5-disubstituted-2-isoxazolines were obtained using NBS, iodine, or N-chlorosuccinimide.Treatment of the 4-bromoisoxazolines with silver acetate or silver nitrate caused either elimination with rearrangement to give isoxazoles or substitution at C-4, depending upon the nature of the substituents at C-5.