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

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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

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

COC(=O)c1cc(cc(c1)C)B1OC(C(O1)(C)C)(C)C Request for Quotation
Chemical Name: methyl 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CAS Number: 929626-17-5
Product Number: AG006JXU(AGN-PC-00SB9P)
Synonyms:
MDL No:
Molecular Formula: C15H21BO4
Molecular Weight: 276.1358

Identification/Properties

Properties
Storage:
Keep in dry area;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-H312-H332
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is a versatile compound widely utilized in chemical synthesis as a key building block. This compound plays a crucial role in the formation of complex organic molecules through various reactions such as Suzuki coupling, which is a popular cross-coupling reaction in organic chemistry. By incorporating this compound into the synthesis process, researchers can efficiently introduce the desired functional groups and structural motifs into the target molecules. Furthermore, the unique structure of Methyl 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate allows for precise control over regioselectivity and stereoselectivity in the synthesis of pharmaceuticals, agrochemicals, and materials with tailored properties. Its strategic placement within a synthetic pathway enables chemists to streamline the production of valuable compounds with high purity and yield.