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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)-

(4-benzylsulfanylphenyl)boronic acid

OB(c1ccc(cc1)SCc1ccccc1)O Request for Quotation
Chemical Name: (4-benzylsulfanylphenyl)boronic acid
CAS Number: 1005207-32-8
Product Number: AG00028U(AGN-PC-00Z4W4)
Synonyms:
MDL No:
Molecular Formula: C13H13BO2S
Molecular Weight: 244.1171

Identification/Properties

Computed Properties
Molecular Weight:
244.115g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
244.073g/mol
Monoisotopic Mass:
244.073g/mol
Topological Polar Surface Area:
65.8A^2
Heavy Atom Count:
17
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

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Using (4-(Benzylthio)phenyl)boronic acid in chemical synthesis serves as a versatile tool for constructing various organic compounds. This boronic acid derivative acts as a key building block in Suzuki-Miyaura cross-coupling reactions, enabling the formation of carbon-carbon bonds in a controlled and efficient manner. Its aromatic boronic acid moiety enhances compatibility with a wide range of substrates, facilitating its application in the synthesis of biologically active molecules, pharmaceuticals, agrochemicals, and advanced materials. By selectively reacting with electrophiles under mild conditions, (4-(Benzylthio)phenyl)boronic acid contributes to the rapid assembly of complex molecular architectures with high yields and excellent functional group tolerance. Its strategic incorporation in synthesis strategies underscores its significant role as a valuable reagent for organic chemists seeking to streamline complex molecule construction processes.