2,6-Dichloro-nicotinic acid tert-butyl ester


Chemical Name: 2,6-Dichloro-nicotinic acid tert-butyl ester
CAS Number: 1013647-75-0
Product Number: AG01FR1C(AGN-PC-3H5PDD)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Computed Properties
Molecular Weight:
248.1g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
247.016684g/mol
Monoisotopic Mass:
247.016684g/mol
Topological Polar Surface Area:
39.2Ų
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
240
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

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NMR Spectrum


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Chemical Structure



2,6-Dichloronicotinic acid tert-butyl ester, also known as $name$, is a versatile compound widely used in chemical synthesis. Its unique properties make it a valuable tool for researchers and scientists in various fields.One key application of 2,6-Dichloronicotinic acid tert-butyl ester is as a building block in the synthesis of pharmaceuticals. Its structure and reactivity allow for the introduction of specific functional groups at strategic positions, enabling the creation of novel drug candidates with enhanced biological activities.Furthermore, this compound is often employed as a precursor in the preparation of complex organic molecules through various synthetic routes. Its tert-butyl ester functionality provides stability and protection during reactions, making it a valuable intermediate in the synthesis of intricate chemical structures.Moreover, 2,6-Dichloronicotinic acid tert-butyl ester is routinely used in the development of agrochemicals, dyes, and advanced materials due to its versatility and compatibility with a wide range of synthetic methodologies.Overall, the use of 2,6-Dichloronicotinic acid tert-butyl ester in chemical synthesis plays a crucial role in the discovery and production of innovative compounds with diverse applications in the fields of pharmaceuticals, agrochemicals, and materials science.