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
Canonical 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
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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