methyl 5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxylate


Chemical Name: methyl 5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxylate
CAS Number: 1105191-49-8
Product Number: AG003RWB(AGN-PC-05OVT3)
Synonyms:
MDL No: MFCD11986431
Molecular Formula: C11H7F2NO3
Molecular Weight: 239.1750

Identification/Properties


Properties
Storage:
Room Temperature;Keep in dry area;
Form:
Solid
Computed Properties
Molecular Weight:
239.178g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
239.039g/mol
Monoisotopic Mass:
239.039g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
290
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H320-H335
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Methyl 5-(2,4-difluorophenyl)isoxazole-3-carboxylate is a versatile compound widely used in chemical synthesis as a key building block for the creation of various pharmaceuticals, agrochemicals, and materials. With its unique structure and reactivity, this compound plays a crucial role in the development of novel molecules and functional materials.In chemical synthesis, Methyl 5-(2,4-difluorophenyl)isoxazole-3-carboxylate serves as a valuable intermediate in the construction of complex organic molecules. Its isoxazole ring and carboxylate group provide multiple sites for further functionalization, allowing chemists to introduce different functional groups or modify the compound to tailor its properties for specific applications.This compound is particularly useful in the synthesis of biologically active molecules due to its potential pharmacological activities. By incorporating Methyl 5-(2,4-difluorophenyl)isoxazole-3-carboxylate into drug candidates, researchers can explore new therapeutic agents with enhanced efficacy or improved pharmacokinetic profiles.Furthermore, Methyl 5-(2,4-difluorophenyl)isoxazole-3-carboxylate finds applications in the development of agrochemicals, where its structural features can be exploited to design crop protection agents or herbicides with desired functionalities. Its synthetic versatility and compatibility with various reaction conditions make it a valuable tool for chemical scientists working in the field of agricultural chemistry.Overall, Methyl 5-(2,4-difluorophenyl)isoxazole-3-carboxylate offers a wide range of possibilities for researchers and synthetic chemists seeking to innovate in drug discovery, materials science, and agrochemical development. Its strategic placement in chemical synthesis pathways enables the efficient assembly of complex molecules and the exploration of new chemical space for diverse applications.