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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)-

2-(2,2,2-Trifluoroethoxy)phenylboronic acid

OB(c1ccccc1OCC(F)(F)F)O Request for Quotation
Chemical Name: 2-(2,2,2-Trifluoroethoxy)phenylboronic acid
CAS Number: 957060-90-1
Product Number: AG00H840(AGN-PC-06GMHI)
Synonyms:
MDL No:
Molecular Formula: C8H8BF3O3
Molecular Weight: 219.9535

Identification/Properties

Properties
MP:
125-128℃
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
219.954g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
220.052g/mol
Monoisotopic Mass:
220.052g/mol
Topological Polar Surface Area:
49.7A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
198
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:
H315-H319-H335
Precautionary Statements:
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


(2-(2,2,2-Trifluoroethoxy)phenyl)boronic acid is a versatile reagent commonly used in chemical synthesis for its ability to facilitate the formation of carbon-carbon and carbon-heteroatom bonds. This boronic acid derivative is particularly valuable in the field of organic chemistry for its unique reactivity and compatibility with various reaction conditions.One of the key applications of (2-(2,2,2-Trifluoroethoxy)phenyl)boronic acid is in Suzuki-Miyaura cross-coupling reactions. In this process, the boronic acid acts as a boronate ester intermediate, forming a transient intermediate with an organometallic partner such as an aryl or vinyl halide. This coupling reaction enables the formation of new carbon-carbon bonds, allowing for the synthesis of complex organic molecules with high efficiency and selectivity.Additionally, (2-(2,2,2-Trifluoroethoxy)phenyl)boronic acid can also participate in other important transformations such as Buchwald-Hartwig amination, Heck reaction, and Stille coupling. These versatile reactions enable the incorporation of the trifluoroethoxyphenyl group into various organic scaffolds, providing access to diverse molecular structures for drug discovery, materials science, and other chemical applications.