2-Phenyl-1-ethylboronic acid

Inquiry

Molecular Formula:

C8H11BO2

Molecular Weight:

149.98

CAS Number:

34420-17-2

Catalog Number:

34420-17-2

Product Information

Molecular Formula:

C8H11BO2

Molecular Weight:

149.98

Description

Reactant involved in:• Suzuki-Miyaura cross-coupling reactions• Reactions with α-diazocarbonyl compounds• C-H functionalization of quinones• Cross-coupling with aromatic amines• Arylation and alkylation of diphenylisoxazoleReactant used in studies of the stability of boronic esters to hydrolysis

Synonyms

2-Phenylethaneboronic acid

IUPAC Name

2-phenylethylboronic acid

Canonical SMILES

B(CCC1=CC=CC=C1)(O)O

InChI

InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2

InChI Key

VPRUMANMDWQMNF-UHFFFAOYAA

Melting Point

76-81 °C (lit.)

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

150.0852098 g/mol

Monoisotopic Mass

150.0852098 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

100

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

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Literatures

PMID	Publication Date	Title	Journal
19731939	2009-10-08	Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors	Journal of medicinal chemistry
18983140	2008-11-27	Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase	Journal of medicinal chemistry

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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