2,6-Difluoro-4-formylphenylboronic acid pinacol ester
Product Information
Molecular Formula
C13H15BF2O3
Molecular Weight
268.06
Description
2,6-Difluoro-4-formylphenylboronic acid pinacol ester (CAS# 870717-92-3) is a useful research chemical.
Synonyms
3,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
IUPAC Name
3,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2F)C=O)F
InChI
InChI=1S/C13H15BF2O3/c1-12(2)13(3,4)19-14(18-12)11-9(15)5-8(7-17)6-10(11)16/h5-7H,1-4H3
InChI Key
KWYZDHWDFMOVOR-UHFFFAOYSA-N
Boiling Point
334.8 °C at 760 mmHg
Melting Point
135-139 °C
Purity
95 %
Density
1.17 g/cm3
LogP
2.07650
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
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
268.1082308 g/mol
Monoisotopic Mass
268.1082308 g/mol
Topological Polar Surface Area
35.5Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
334
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 |
|---|---|---|
| JP-2019530670-A | Pyrazolopyridine derivatives as HPK1 modulators and their use for the treatment of cancer | 2016-09-09 |
| TW-201811784-A | Pyrazolopyridine compound and use thereof | 2016-09-09 |
| TW-201811799-A | Pyrazolopyrimidine compound and use thereof | 2016-09-09 |
| US-10266530-B2 | Pyrazolopyridine compounds and uses thereof | 2016-09-09 |
| US-10435405-B2 | Pyrazolopyridine compounds and uses thereof | 2016-09-09 |
| US-2018072720-A1 | Pyrazolopyridine compounds and uses thereof | 2016-09-09 |
| US-2018072741-A1 | Pyrazolopyrimidine compounds and uses thereof | 2016-09-09 |
| US-2019106419-A1 | Pyrazolopyridine compounds and uses thereof | 2016-09-09 |
| US-2020087301-A1 | Pyrazolopyridine compounds and uses thereof | 2016-09-09 |
| US-2020172545-A1 | Pyrazolopyrimidine compounds and uses thereof | 2016-09-09 |
