Tetrahydropyran-4-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C11H21O3B
Molecular Weight
212.09
Description
Tetrahydropyran-4-boronic Acid Pinacol Ester (CAS# 1131912-76-9) is a useful research chemical.
Synonyms
4,4,5,5-tetramethyl-2-(4-oxanyl)-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-(oxan-4-yl)-1,3,2-dioxaborolane
IUPAC Name
4,4,5,5-tetramethyl-2-(oxan-4-yl)-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)C2CCOCC2
InChI
InChI=1S/C11H21BO3/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h9H,5-8H2,1-4H3
InChI Key
NLSMOSUUBUCSPL-UHFFFAOYSA-N
Flash Point
Not applicable
Appearance
Liquid
Storage
2-8 °C
LogP
2.25920
Safety Information
Hazards
H302
Precautionary Statement
P264, P270, P301+P312, P330, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
212.1583747 g/mol
Monoisotopic Mass
212.1583747 g/mol
Topological Polar Surface Area
27.7Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
218
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 |
|---|---|---|
| WO-2018153365-A1 | Substituted fused heteroaryl tricyclic compound as kinase inhibitor and application thereof | 2017-02-27 |
| US-2021128535-A1 | Substituted Fused Heteroaromatic Tricyclic Compounds as Kinase Inhibitors and The Use Thereof | 2017-02-27 |
| US-2020339522-A1 | Phenoxymethyl derivatives | 2015-09-04 |
