3-Methoxyloxymethylphenylboronic acid pinacol ester

Product Information

Molecular Formula:
C14H21BO3
Molecular Weight:
266.14102
Description
3-Methoxyloxymethylphenylboronic acid pinacol ester is a biomedical compound. This versatile product acts as a pharmaceutical intermediate, enabling the synthesis of potential drugs for conditions such as cancer, diabetes, and inflammation. Its unique chemical structure and properties make it an essential component in drug discovery and development.
Synonyms
3-(METHOXYMETHYL)PHENYLBORONIC ACID, PINACOL ESTER
IUPAC Name
2-[3-(methoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)COC
InChI
InChI=1S/C14H21BO3/c1-13(2)14(3,4)18-15(17-13)12-8-6-7-11(9-12)10-16-5/h6-9H,10H2,1-5H3
InChI Key
FDTVLJCTUKZTMS-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
95%

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
248.1583747 g/mol
Monoisotopic Mass
248.1583747 g/mol
Topological Polar Surface Area
27.7Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
275
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

Patents

Publication Number Title Priority Date
CN-104892374-A Magnolol derivative with benzyl alcohol or benzyl methyl ether substituent 2014-03-03
US-2013102595-A1 Treatment of cancers having k-ras mutations 2011-04-15
AU-2011239537-A1 Treatment of cancers having K-ras mutations 2010-04-16
CA-2795952-A1 Treatment of cancers having k-ras mutations 2010-04-16
JP-2013525308-A Treatment of cancer with K-RAS mutation 2010-04-16
WO-2011130628-A1 Treatment of cancers having k-ras mutations 2010-04-16
AU-2010203512-A1 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety 2009-01-08
AU-2010203512-B2 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety 2009-01-08
AU-2010203512-C1 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety 2009-01-08
AU-2013206342-A1 Phosphoinositide 3-kinase inhibitors with a zinc binding moiety 2009-01-08
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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