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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)-

(3-ethynylphenyl)boronic acid

C#Cc1cccc(c1)B(O)O Request for Quotation
Chemical Name: (3-ethynylphenyl)boronic acid
CAS Number: 1189127-05-6
Product Number: AG003A1H(AGN-PC-0JF3RY)
Synonyms:
MDL No:
Molecular Formula: C8H7BO2
Molecular Weight: 145.9510

Identification/Properties

Computed Properties
Molecular Weight:
145.952g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
146.054g/mol
Monoisotopic Mass:
146.054g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
170
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
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


B-(3-Ethynylphenyl)boronic acid, also known as 3-ethynylphenylboronic acid, is a versatile organic compound commonly used in chemical synthesis. This compound plays a crucial role in modern organic chemistry as a key building block for the preparation of various functional molecules. One of the primary applications of B-(3-Ethynylphenyl)boronic acid is in cross-coupling reactions, particularly in Suzuki-Miyaura coupling. In this reaction, the boronic acid functionality serves as a nucleophilic partner, reacting with an electrophilic partner in the presence of a palladium catalyst to form a new carbon-carbon bond. This enables the synthesis of complex organic molecules with high efficiency and selectivity.Additionally, B-(3-Ethynylphenyl)boronic acid can be used in Sonogashira coupling reactions, where the ethynyl group can be further functionalized to introduce alkynyl moieties into the target molecule. This allows for the preparation of compounds with unique properties and functionalities, such as conjugated systems used in materials science and pharmaceutical research.Furthermore, the versatile nature of B-(3-Ethynylphenyl)boronic acid enables its use in the construction of various heterocycles and natural product synthesis. Its ability to undergo multiple transformations under mild reaction conditions makes it an indispensable tool for chemists seeking to design and synthesize novel organic structures for various applications in the field of chemistry.