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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-ethoxycarbonyl-5-fluorophenyl)boronic acid

CCOC(=O)c1ccc(cc1B(O)O)F Request for Quotation
Chemical Name: (2-ethoxycarbonyl-5-fluorophenyl)boronic acid
CAS Number: 957062-87-2
Product Number: AG00H83N(AGN-PC-07TCTA)
Synonyms:
MDL No: MFCD09878342
Molecular Formula: C9H10BFO4
Molecular Weight: 211.9827

Identification/Properties

Properties
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
211.983g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
212.066g/mol
Monoisotopic Mass:
212.066g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
224
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


The (2-(Ethoxycarbonyl)-5-fluorophenyl)boronic acid is a versatile and valuable reagent used in chemical synthesis. This compound is widely employed in Suzuki-Miyaura cross-coupling reactions, a fundamental transformation in organic chemistry that allows for the formation of carbon-carbon bonds. By serving as a boronate ester precursor, (2-(Ethoxycarbonyl)-5-fluorophenyl)boronic acid participates in the coupling with various aryl halides or pseudohalides under palladium catalysis, resulting in the synthesis of biaryl compounds. This process is crucial in the pharmaceutical industry, as it enables the construction of complex molecular structures found in many drug candidates. Additionally, this boronic acid derivative has been utilized in the development of organic electronic materials and agrochemicals, showcasing its significance across different fields of research and industry.