3-Ethoxyphenylboronic Acid

Inquiry

Molecular Formula:

C8H11O3B

Molecular Weight:

165.98

CAS Number:

90555-66-1

Catalog Number:

90555-66-1

Product Information

Molecular Formula:

C8H11O3B

Molecular Weight:

165.98

Description

Reactant involved in: Cyanation for synthesis of aromatic and vinyl nitriles; Microwave-assisted palladium-catalyzed arylation of resin supported pyrazinones; Copper-mediated N- and O-arylations. Reactant involved in synthesis of biologically active molecules including: Amino derivatives of indole for use as isoprenylcysteine carboxyl methyltransferase inhibitors; 5-Arylindazole glucocorticoid receptor agonists and antagonists; 1,5-Diaryl-1,2,4-triazoles as cis-restricted combretastatin analogs.

Synonyms

(3-ethoxyphenyl)boronic acid; (3-ethoxyphenyl)boronic acid

IUPAC Name

(3-ethoxyphenyl)boronic acid

Canonical SMILES

B(C1=CC(=CC=C1)OCC)(O)O

InChI

InChI=1S/C8H11BO3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,10-11H,2H2,1H3

InChI Key

CHCWUTJYLUBETR-UHFFFAOYSA-N

Boiling Point

328.3 °C at 760 mmHg

Melting Point

139-146 °C (lit.)

Flash Point

Not applicable

Density

1.13 g/cm³

LogP

-0.23490

Safety Information

Precautionary Statement

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

166.0801244 g/mol

Monoisotopic Mass

166.0801244 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

130

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

Patents

Publication Number	Title	Priority Date
JP-2022022902-A	Compound with fluorene skeleton	2020-07-10
US-2021214366-A1	Bicyclic heterocycles as fgfr inhibitors	2020-01-15
WO-2021146424-A1	Bicyclic heterocycles as fgfr inhibitors	2020-01-15
WO-2021133831-A1	Compositions for use for the inhibition of dihydroorotate dehydrogenase	2019-12-26
WO-2021133833-A1	Compositions for use in the inhibition of dihydroorotate dehydrogenase	2019-12-26
WO-2021134042-A1	Methods and compositions for inhibition of dihydroorotate dehydrogenase	2019-12-26
WO-2021047406-A1	Tricyclic compound, pharmaceutical composition containing same, preparation method therefor and use thereof	2019-09-10
CN-114096533-A	Tricyclic compound, pharmaceutical composition containing same, preparation method and application thereof	2019-09-10
JP-2021031401-A	Compounds having a fluorene skeleton and methods for producing them	2019-08-19
WO-2020226126-A1	Compound having fluorene skeleton and method for producing same	2019-05-09

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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