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E-2-(3-Chlorophenyl)vinylboronic acid, pinacol ester

E-2-(3-Chlorophenyl)vinylboronic acid, pinacol ester

Inquiry

Molecular Formula:

C14H18BClO2

Molecular Weight:

264.6

CAS Number:

871125-84-7

Catalog Number:

871125-84-7

Product Information

Molecular Formula:

C14H18BClO2

Molecular Weight:

264.6

Description

E-2-(3-Chlorophenyl)vinylboronic acid, pinacol ester is a vital component in the field of biomedicine. It is commonly used in drug discovery and development processes to synthesize innovative medications for the treatment of various diseases. By harnessing its unique properties, this compound contributes to the creation of potent drugs that target specific illnesses, improving patient outcomes and advancing medical breakthroughs.

Synonyms

(E-2-(3-Chlorophenyl)vinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

IUPAC Name

2-[(E)-2-(3-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C=CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C14H18BClO2/c1-13(2)14(3,4)18-15(17-13)9-8-11-6-5-7-12(16)10-11/h5-10H,1-4H3/b9-8+

InChI Key

NZBKTAJNGYXYSQ-CMDGGOBGSA-N

Boiling Point

138-140 °C/0.9-1.0 mmHg

Flash Point

Not applicable

Purity

95%

Density

1.049 g/mL at 25 °C

Appearance

Colorless to tan liquid

Refractive Index

n20/D 1.536

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

264.1088377 g/mol

Monoisotopic Mass

264.1088377 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

312

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
CN-113717396-A	Copper (I) -based covalent metal organic framework material for catalyzing hydroboration reaction of alkyne and preparation method thereof	2021-09-02
CN-113717396-B	Copper (I) -based covalent metal organic framework material for catalyzing hydroboration reaction of alkyne and preparation method thereof	2021-09-02
CN-111943967-A	Method for synthesizing alkenyl borate compound	2020-08-14
JP-6586078-B2	Oligonucleotides having unnatural nucleotides at the 5 'end	2014-03-03
JP-WO2015133491-A1	Oligonucleotides having unnatural nucleotides at the 5 'end	2014-03-03
JP-6336390-B2	Oligonucleotide	2012-08-31
JP-WO2014034934-A1	Oligonucleotide	2012-08-31
TW-201422633-A	Oligonucleotides	2012-08-31
CA-2797019-A1	Modulators of 5-ht receptors and methods of use thereof	2010-04-22
EP-2560973-B1	Modulators of 5-ht receptors and methods of use thereof	2010-04-22

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

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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E-2-(3-Chlorophenyl)vinylboronic acid, pinacol ester

Product Information

Computed Properties

Patents

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