Morpholine, 4-(5-bromo-2-chloro-4-pyrimidinyl)-


Chemical Name: Morpholine, 4-(5-bromo-2-chloro-4-pyrimidinyl)-
CAS Number: 139502-01-5
Product Number: AG001B5E(AGN-PC-0K9JOP)
Synonyms:
MDL No:
Molecular Formula: C8H9BrClN3O
Molecular Weight: 278.5336

Identification/Properties


Computed Properties
Molecular Weight:
278.534g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
276.962g/mol
Monoisotopic Mass:
276.962g/mol
Topological Polar Surface Area:
38.2A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
191
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



5-Bromo-2-chloro-4-morpholinopyrimidine is a versatile compound widely employed in chemical synthesis for its unique reactivity and structural properties. As a heterocyclic building block, this molecule serves as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and materials.One of the primary applications of 5-Bromo-2-chloro-4-morpholinopyrimidine is in the pharmaceutical industry, where it is utilized as a key starting material for the synthesis of bioactive compounds and drug candidates. Its ability to undergo diverse chemical transformations, such as substitution reactions and cross-coupling reactions, makes it an essential component in the preparation of complex drug molecules.Furthermore, 5-Bromo-2-chloro-4-morpholinopyrimidine plays a crucial role in the development of agrochemicals and crop protection products. Its structural features enable the incorporation of specific functional groups necessary for enhancing the biological activity and selectivity of herbicides, fungicides, and insecticides.In addition, this compound finds application in material science for the construction of molecular frameworks with tailored properties. By incorporating 5-Bromo-2-chloro-4-morpholinopyrimidine into polymer matrices or supramolecular structures, researchers can design materials with desired mechanical, electronic, or optical characteristics for various industrial applications.Overall, the versatility and reactivity of 5-Bromo-2-chloro-4-morpholinopyrimidine make it a valuable tool in chemical synthesis for the creation of diverse functional molecules with applications across pharmaceuticals, agrochemicals, and materials science.