2-tert-butyl-4-chloropyrimidine


Chemical Name: 2-tert-butyl-4-chloropyrimidine
CAS Number: 18436-67-4
Product Number: AG00AMCW(AGN-PC-04TM5M)
Synonyms:
MDL No:
Molecular Formula: C8H11ClN2
Molecular Weight: 170.6393

Identification/Properties


Properties
BP:
212.2°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
170.64g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
170.061g/mol
Monoisotopic Mass:
170.061g/mol
Topological Polar Surface Area:
25.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
131
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-tert-Butyl-4-chloropyrimidine is a versatile building block in chemical synthesis, commonly used in organic chemistry for the efficient construction of diverse heterocyclic compounds. This compound serves as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and materials due to its unique reactivity and functional group compatibility. With its strategic placement of a tert-butyl group and a chlorine atom on a pyrimidine ring, this molecule facilitates selective functionalization reactions, enabling the rapid generation of complex molecular structures. In particular, 2-tert-Butyl-4-chloropyrimidine finds wide utility in the preparation of novel drug candidates, herbicides, and specialty chemicals, demonstrating its essential role in modern chemical synthesis approaches.