2-Thiophenecarboxylicacid, 4-borono-, 2-methyl ester


Chemical Name: 2-Thiophenecarboxylicacid, 4-borono-, 2-methyl ester
CAS Number: 957062-52-1
Product Number: AG006BMY(AGN-PC-0W5CC0)
Synonyms:
MDL No:
Molecular Formula: C6H7BO4S
Molecular Weight: 185.9934

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
185.988g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
186.016g/mol
Monoisotopic Mass:
186.016g/mol
Topological Polar Surface Area:
95A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
175
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



5-(Methoxycarbonyl)thiophene-3-boronic acid is a versatile compound widely used in chemical synthesis as a key building block in organic chemistry. This compound is commonly utilized in the field of medicinal chemistry for the synthesis of various pharmaceutical compounds due to its boronic acid functionality, which is valuable for forming carbon-carbon and carbon-heteroatom bonds.In organic synthesis, 5-(Methoxycarbonyl)thiophene-3-boronic acid can serve as a precursor for the introduction of the thiophene ring system into complex molecules. The boronic acid group allows for cross-coupling reactions with aryl halides or other electrophiles, enabling the formation of new carbon-carbon bonds under mild reaction conditions. This makes it a valuable tool for the construction of organic molecules with potential biological activities.Furthermore, this compound can participate in Suzuki-Miyaura coupling reactions, a widely used method for the formation of biaryl compounds. By coupling 5-(Methoxycarbonyl)thiophene-3-boronic acid with suitable halogenated substrates, chemists can efficiently create structurally diverse molecules with enhanced properties.Overall, the application of 5-(Methoxycarbonyl)thiophene-3-boronic acid in chemical synthesis showcases its importance as a versatile reagent for the construction of complex organic molecules with potential pharmaceutical applications.