3-Fluoro-4-formylphenylboronic acid
Product Information
Molecular Formula
C7H6BFO3
Molecular Weight
167.93
Description
Reactant for: Preparation of MIDA boronates for Suzuki-Miyaura cross-coupling reactions; Preparation of pyrazolopyrimidinamine derivatives as tyrosine and phosphinositide kinase inhibitors.
Synonyms
(3-fluoro-4-formylphenyl)boronic acid
IUPAC Name
(3-fluoro-4-formylphenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1)C=O)F)(O)O
InChI
InChI=1S/C7H6BFO3/c9-7-3-6(8(11)12)2-1-5(7)4-10/h1-4,11-12H
InChI Key
NZNRMUVHUVCIBR-UHFFFAOYSA-N
Boiling Point
349.3 °C at 760 mmHg
Melting Point
249-250 °C
Purity
97 %
Density
1.33 g/cm3
Appearance
White to light yellow crystal powde
LogP
-0.68200
Safety Information
Hazards
H315-H319-H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
168.0394024 g/mol
Monoisotopic Mass
168.0394024 g/mol
Topological Polar Surface Area
57.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
165
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-113637179-A | Three-dimensional covalent organic framework material with hea topology and preparation method thereof | 2021-09-09 |
| WO-2021247910-A1 | Amino alcohol compounds and uses thereof | 2020-06-03 |
| CN-112608320-A | Piperidine compound and preparation method and medical application thereof | 2020-01-16 |
| WO-2021113679-A1 | Dimeric compounds as sting agonists | 2019-12-06 |
| US-2021077385-A1 | Wet-packed soft hydrogel ocular inserts | 2019-09-18 |
| WO-2021053586-A1 | Wet-packed soft hydrogel ocular inserts | 2019-09-18 |
| WO-2021055295-A1 | Brd9 bifunctional degraders and their methods of use | 2019-09-16 |
| WO-2020254572-A1 | Egfr inhibitors for the treatment of cancer | 2019-06-21 |
| CN-113993872-A | EGFR inhibitors for the treatment of cancer | 2019-06-21 |
| CN-111435705-A | Repairing agent and repairing method thereof and method for preparing photoelectric film | 2019-06-12 |
