(2-chloro-5-methoxycarbonylphenyl)boronic acid


Chemical Name: (2-chloro-5-methoxycarbonylphenyl)boronic acid
CAS Number: 913835-92-4
Product Number: AG00GSYI(AGN-PC-071386)
Synonyms:
MDL No:
Molecular Formula: C8H8BClO4
Molecular Weight: 214.4107

Identification/Properties


Properties
MP:
230-232 °C
BP:
386.8 °C at 760 mmHg
Form:
Solid
Computed Properties
Molecular Weight:
214.408g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
214.02g/mol
Monoisotopic Mass:
214.02g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
212
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



The compound (2-Chloro-5-(methoxycarbonyl)phenyl)boronic acid is a versatile reagent widely used in organic synthesis. It plays a crucial role in Suzuki-Miyaura cross-coupling reactions, allowing for the selective formation of carbon-carbon bonds. This boronic acid derivative can be employed in the synthesis of various pharmaceuticals, agrochemicals, and functional materials. Additionally, it serves as a key building block for the construction of complex molecular structures, enabling chemists to access novel compounds with diverse chemical and biological properties. Its unique reactivity and stability make it a valuable tool for organic chemists seeking to streamline their synthetic strategies and access a wide range of structurally diverse molecules.