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
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 |
