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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)-

Boronic acid, [4-(methylthio)phenyl]-

CSc1ccc(cc1)B(O)O Request for Quotation
Chemical Name: Boronic acid, [4-(methylthio)phenyl]-
CAS Number: 98546-51-1
Product Number: AG0033TU(AGN-PC-07HAG4)
Synonyms:
MDL No: MFCD00093410
Molecular Formula: C7H9BO2S
Molecular Weight: 168.0212

Identification/Properties

Properties
MP:
210-214 °C(lit.);
BP:
333.5°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
168.017g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
168.042g/mol
Monoisotopic Mass:
168.042g/mol
Topological Polar Surface Area:
65.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
113
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-(Methylthio)phenylboronic acid is a versatile compound that finds wide application in organic synthesis. As a boronic acid derivative, it is a valuable building block for creating complex organic molecules through Suzuki-Miyaura cross-coupling reactions. This reaction involves the formation of a carbon-carbon bond between an aryl or vinyl boronic acid and an organic halide or pseudohalide, often catalyzed by palladium compounds. The unique structure of 4-(Methylthio)phenylboronic acid enables it to participate effectively in these coupling reactions, allowing chemists to efficiently construct a variety of biaryl, styrene, and heteroaryl structures. Its ability to serve as a key component in the formation of C-C bonds makes 4-(Methylthio)phenylboronic acid a valuable tool in the synthesis of pharmaceuticals, agrochemicals, and functional materials.