Bis(neopentyl Glycolato)diboron
Product Information
Molecular Formula
C10H20O4B2
Molecular Weight
225.89
Description
Reagent to prepare boronic acid esters.
Synonyms
2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane; 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane
IUPAC Name
2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane
SMILES
B1(OCC(CO1)(C)C)B2OCC(CO2)(C)C
InChI
InChI=1S/C10H20B2O4/c1-9(2)5-13-11(14-6-9)12-15-7-10(3,4)8-16-12/h5-8H2,1-4H3
InChI Key
MDNDJMCSXOXBFZ-UHFFFAOYSA-N
Boiling Point
214.3 °C at 760 mmHg
Melting Point
180.5-184.5 °C (lit.)
Flash Point
Not applicable
Purity
96 %
Density
0.99 g/cm3
LogP
1.18720
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
226.1547694 g/mol
Monoisotopic Mass
226.1547694 g/mol
Topological Polar Surface Area
36.9Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
211
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-2022035763-A1 | Boron containing compounds and their uses | 2020-08-10 |
| WO-2021250541-A1 | Spiro compounds as melanocortin 4 receptor antagonists and uses thereof | 2020-06-09 |
| WO-2021226114-A1 | Boronic acid derivatives and synthesis, polymorphic forms, and therapeutic uses thereof | 2020-05-05 |
| WO-2021154796-A1 | Glp-1r modulating compounds | 2020-01-29 |
| WO-2021142155-A1 | Processes for preparing triazole glycolate oxidase inhibitors | 2020-01-08 |
| EP-3886991-A1 | Kras g12c inhibitors | 2019-12-11 |
| US-2021179633-A1 | Kras g12c inhibitors | 2019-12-11 |
| WO-2021118877-A1 | Kras g12c inhibitors | 2019-12-11 |
| JP-2022508469-A | KRAS G12C inhibitor | 2019-12-11 |
| WO-2021080511-A1 | Methods of borylation and uses thereof | 2019-10-25 |
