2-[(1-Naphthyloxy)methyl]phenylboronic acid
Product Information
Molecular Formula
C17H15BO3
Molecular Weight
278.1
Description
2-[(1-Naphthyloxy)methyl]phenylboronic acid is commonly used in pharmaceutical synthesis, specifically as a reagent in Suzuki-Miyaura cross-coupling reactions. It finds its application in the creation of organic compounds with medicinal properties, particularly anti-cancer drugs.
Synonyms
[2-(naphthalen-1-yloxymethyl)phenyl]boronicacid; 2-[(1-Naphthyloxy)methyl]phenylboronicacid; 1072951-77-9; 662062_ALDRICH; SCHEMBL15330447; CTK4A5301
IUPAC Name
[2-(naphthalen-1-yloxymethyl)phenyl]boronic acid
SMILES
B(C1=CC=CC=C1COC2=CC=CC3=CC=CC=C32)(O)O
InChI
InChI=1S/C17H15BO3/c19-18(20)16-10-4-2-7-14(16)12-21-17-11-5-8-13-6-1-3-9-15(13)17/h1-11,19-20H,12H2
InChI Key
QXLULGNNNOYHIY-UHFFFAOYSA-N
Melting Point
170-179 °C
Purity
91%
Appearance
White to tan powder or crystals
Safety Information
Hazards
H413
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
278.1114245 g/mol
Monoisotopic Mass
278.1114245 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
323
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 |
|---|---|---|
| EP-3285583-A1 | Small molecule inhibitors of mcl-1 and uses thereof | 2015-04-20 |
| US-2016304485-A1 | Small molecule inhibitors of mcl-1 and uses thereof | 2015-04-20 |
| US-9884841-B2 | Small molecule inhibitors of Mcl-1 and uses thereof | 2015-04-20 |
| WO-2016172218-A1 | Small molecule inhibitors of mcl-1 and uses thereof | 2015-04-20 |
| EP-3285583-B1 | Small molecule inhibitors of mcl-1 and uses thereof | 2015-04-20 |
| WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 2010-04-16 |
| US-2015315127-A1 | Therapeutic compounds | 2009-05-05 |
