Bis(hexylene glycolato)diboron
Product Information
Molecular Formula
C12H24O4B2
Molecular Weight
253.94
Description
Bis(hexylene glycolato)diboron (CAS# 230299-21-5) is a useful research chemical.
Synonyms
4,4,6-trimethyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane; 4,4,6-trimethyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane
IUPAC Name
4,4,6-trimethyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)-1,3,2-dioxaborinane
SMILES
B1(OC(CC(O1)(C)C)C)B2OC(CC(O2)(C)C)C
InChI
InChI=1S/C12H24B2O4/c1-9-7-11(3,4)17-13(15-9)14-16-10(2)8-12(5,6)18-14/h9-10H,7-8H2,1-6H3
InChI Key
UEBSWKNVDRJVHN-UHFFFAOYSA-N
Boiling Point
242.8 °C at 760 mmHg
Melting Point
98-102 °C (lit.)
Flash Point
Not applicable
Purity
96 %
Density
0.97 g/cm3
LogP
2.24920
Safety Information
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
4
Rotatable Bond Count
1
Exact Mass
254.1860696 g/mol
Monoisotopic Mass
254.1860696 g/mol
Topological Polar Surface Area
36.9Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
279
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
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-2022030589-A1 | Ligand containing monodentate coordination urea compound, and borylation catalyst containing same | 2020-08-05 |
| WO-2021247774-A1 | Gel for use in gastrointestinal endoscopy and endodermal, epidermal, and other mucosal uses | 2020-06-02 |
| WO-2021177290-A1 | Method for producing mono-cross-coupled aromatic compound having leaving group | 2020-03-02 |
| WO-2021142155-A1 | Processes for preparing triazole glycolate oxidase inhibitors | 2020-01-08 |
| WO-2021080511-A1 | Methods of borylation and uses thereof | 2019-10-25 |
| WO-2021045207-A1 | Mechanoredox reaction using piezoelectric material, and production method using said reaction | 2019-09-06 |
| EP-3764434-A1 | Elimination of voltage-delays and stabilisation of impedance through electrolyte additives in alkaline metal chemical cells | 2019-07-10 |
| US-2020397697-A1 | Formulations of tie-2 activators and methods of use thereof | 2019-06-24 |
| GB-2589400-A | Formulations of tie-2 activators and methods of use thereof | 2019-06-24 |
| WO-2020195998-A1 | Explosive composition and method for manufacturing same, and method for manufacturing heteroatom-doped nanodiamond | 2019-03-26 |
