methyl 6-chloro-5-methoxynicotinate


Chemical Name: methyl 6-chloro-5-methoxynicotinate
CAS Number: 915107-31-2
Product Number: AG00GWQ5(AGN-PC-0BS0E3)
Synonyms:
MDL No:
Molecular Formula: C8H8ClNO3
Molecular Weight: 201.6070

Identification/Properties


Computed Properties
Molecular Weight:
201.606g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
201.019g/mol
Monoisotopic Mass:
201.019g/mol
Topological Polar Surface Area:
48.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
188
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-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Methyl 6-chloro-5-methoxynicotinate is a versatile compound widely used in chemical synthesis, particularly in the pharmaceutical and agrochemical industries. This compound serves as a valuable building block for the synthesis of various bioactive molecules and functional materials. Its unique structure, characterized by the presence of a chlorine atom and a methoxy group on a nicotinate moiety, imparts specific properties that are crucial in the development of new compounds with desired biological activities.In chemical synthesis, Methyl 6-chloro-5-methoxynicotinate can be utilized as a key intermediate for the preparation of heterocyclic compounds, which are fundamental structural motifs found in many biologically active molecules. The presence of the chlorine atom and the methoxy group on the nicotinate ring provides opportunities for selective functionalization and derivatization reactions, enabling the introduction of additional substituents to modulate the properties of the final compound.Moreover, Methyl 6-chloro-5-methoxynicotinate can participate in cross-coupling reactions, such as Suzuki-Miyaura coupling, Heck reaction, and Sonogashira coupling, to form C-C and C-heteroatom bonds with other organic or inorganic partners. This ability to engage in diverse coupling reactions enhances its utility in the construction of complex molecular architectures with tailored functionalities.Overall, the application of Methyl 6-chloro-5-methoxynicotinate in chemical synthesis underscores its significance as a valuable synthetic building block for the development of novel compounds with potential pharmacological, agricultural, and materials science applications.