4-Trifluoromethoxyphenylboronic acid
Product Information
Molecular Formula
C7H6BF3O3
Molecular Weight
205.93
Description
4-Trifluoromethoxyphenylboronic acid is a reagent used in the synthesis of orally bioavailable matrix metalloprotinase inhibitors. Also used in the preparation of chromen-4-one inhibitors against DNA dependant protein kinases.
Synonyms
(p-Trifluoromethoxyphenyl)boronic Acid; 4-(Trifluoromethoxy)benzeneboronic Acid; 4-Trifluoromethoxyphenylboric Acid; 4-Trifluoromethoxyphenylboronic Acid; [4-[(Trifluoromethyl)oxy]phenyl]boronic Acid; p-(Trifluoromethoxy)phenylboronic Acid; B-[4-(Trifluoromethoxy)phenyl]boronic Acid; MFCD01074648
IUPAC Name
[4-(trifluoromethoxy)phenyl]boronic acid
SMILES
B(C1=CC=C(C=C1)OC(F)(F)F)(O)O
InChI
InChI=1S/C7H6BF3O3/c9-7(10,11)14-6-3-1-5(2-4-6)8(12)13/h1-4,12-13H
InChI Key
HUOFUOCSQCYFPW-UHFFFAOYSA-N
Boiling Point
256.6±50.0 °C (Predicted)
Melting Point
123-127 °C
Flash Point
Not applicable
Purity
> 98 % (HPLC)
Density
1.410±0.10 g/cm3 (Predicted)
Appearance
White to beige crystalline powder
Storage
2-8 °C
LogP
0.26500
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
2
Exact Mass
206.0362087 g/mol
Monoisotopic Mass
206.0362087 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
178
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-113968824-A | 2,3, 5-trisubstituted pyrazine compound and preparation method and application thereof | 2021-11-29 |
| CN-114031623-A | C14Amino-substituted tetrandrine derivative and preparation and application thereof | 2021-11-12 |
| CN-113880714-A | Synthesis method of carbonyl alpha-position monomethyl substituted compound | 2021-09-30 |
| CN-113861188-A | Pyrazolo [3,4-b ] pyridine derivative, preparation method thereof and application thereof as HPK1 inhibitor | 2021-08-23 |
| CN-112876388-A | GPR120 agonist and preparation method and application thereof | 2021-01-14 |
| CN-112687878-A | Electrochemical device and electronic device | 2020-12-25 |
| CN-112574216-A | Compound, preparation method thereof and application thereof in preparing anti-cancer drugs | 2020-12-16 |
| CN-112574216-B | Compound, preparation method thereof and application thereof in preparing anti-cancer drugs | 2020-12-16 |
| KR-20210153019-A | Organic light emitting diode display | 2020-12-03 |
| CN-112209972-A | Large-steric-hindrance N-heterocyclic carbene-palladium complex, preparation method and application thereof, and synthetic method of sonchibu based on complex | 2020-10-14 |
