methyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate


Chemical Name: methyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CAS Number: 955929-54-1
Product Number: AG006CKT(AGN-PC-0BT3V4)
Synonyms:
MDL No:
Molecular Formula: C15H21BO4
Molecular Weight: 276.1358

Identification/Properties


Properties
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
276.139g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
276.153g/mol
Monoisotopic Mass:
276.153g/mol
Topological Polar Surface Area:
44.8A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
364
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#:
-
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Methyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is a valuable compound widely used in chemical synthesis. Its unique structure containing a boronate ester group makes it a versatile building block in organic chemistry. One key application of Methyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is in Suzuki-Miyaura cross-coupling reactions. In this type of reaction, the boronate ester group serves as a handle for introducing the desired aryl or heteroaryl moiety onto another organic molecule. This reaction is highly versatile and allows for the formation of complex molecules with high efficiency.Furthermore, this compound can be employed in the synthesis of pharmaceuticals, agrochemicals, and materials due to its ability to participate in a variety of carbon-carbon bond forming reactions. Its selective reactivity and compatibility with a wide range of functional groups make it a valuable tool for chemists working in medicinal chemistry, materials science, and other related fields.