2-((3-(Trifluoromethyl)phenoxy)methyl)phenylboronic acid
Product Information
Molecular Formula
C14H12BF3O3
Molecular Weight
296.0
Description
2-((3-(Trifluoromethyl)phenoxy)methyl)phenylboronic acid is a pharmaceutical grade chemical, used in the research and development of drugs targeting cancer and inflammatory diseases. It's known for its pivotal roles in Suzuki coupling reactions in medicinal chemistry.
Synonyms
[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]boronicacid; 1072951-60-0; 2-((3-(TRIFLUOROMETHYL)PHENOXY)METHYL)PHENYLBORONICACID; (2-((3-(Trifluoromethyl)phenoxy)methyl)phenyl)boronicacid; ACMC-2098t7; 666866_ALDRICH
IUPAC Name
[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]boronic acid
SMILES
B(C1=CC=CC=C1COC2=CC=CC(=C2)C(F)(F)F)(O)O
InChI
InChI=1S/C14H12BF3O3/c16-14(17,18)11-5-3-6-12(8-11)21-9-10-4-1-2-7-13(10)15(19)20/h1-8,19-20H,9H2
InChI Key
YCLVPNCQCUGEIR-UHFFFAOYSA-N
Melting Point
97-101 °C
Purity
96%
Safety Information
Hazards
H302-H413
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
4
Exact Mass
296.0831589 g/mol
Monoisotopic Mass
296.0831589 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
325
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 |
|---|---|---|
| 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 |
| 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-2012149693-A1 | Therapeutic compounds | 2009-05-05 |
| US-2015315127-A1 | Therapeutic compounds | 2009-05-05 |
| US-9024071-B2 | Therapeutic compounds | 2009-05-05 |
| EP-1492757-A1 | (2-((2-alkoxy)-phenyl)-cyclopent-1-enyl) aromatic carbo- and heterocyclic carboxylic acid and derivatives | 2002-04-08 |
| WO-03084917-A1 | (2-((2-alkoxy) -phenyl) -cyclopent-1-enyl) aromatic carbo and heterocyclic acid and derivatives | 2002-04-08 |
