3-Methyl-2-buten-2-ylboronic acid pinacol ester
Product Information
Molecular Formula
C11H21BO2
Molecular Weight
196.09
Description
3-Methyl-2-buten-2-ylboronic acid pinacol ester is a chemical compound widely used in the biomedical industry. It plays a crucial role in the synthesis of various drugs, particularly those used for treating specific diseases. With its unique structure and reactivity, this ester is utilized in the production of targeted pharmaceutical compounds that aid in combating various ailments.
Synonyms
4,4,5,5-tetramethyl-2-(3-methylbut-2-en-2-yl)-1,3,2-dioxaborolane; 2-(1,2-dimethyl-1-propen-1-yl)-4,4,5,5-tetramethyl-1,3,2-Dioxaborolane; 3-Methyl-2-buten-2-ylboronic acid pinacol ester, 95%; 2-(1,2-dimethyl-1-propenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name
4,4,5,5-tetramethyl-2-(3-methylbut-2-en-2-yl)-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C(C)C)C
InChI
InChI=1S/C11H21BO2/c1-8(2)9(3)12-13-10(4,5)11(6,7)14-12/h1-7H3
InChI Key
LMHXDKYPKRJWKS-UHFFFAOYSA-N
Flash Point
160.0 °F
Purity
95%
Density
0.888 g/mL at 25 °C
Refractive Index
n20/D 1.450
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
196.1634601 g/mol
Monoisotopic Mass
196.1634601 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
247
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-2021146370-A1 | Map4k1 inhibitors | 2020-01-15 |
| WO-2015095767-A1 | Heterocyclic modulators of lipid synthesis and combinations thereof | 2013-12-20 |
| WO-2013096630-A1 | Heteroaryls and uses thereof | 2011-12-23 |
| WO-2010136353-A1 | Diketopyrrolopyrrole polymers for use in organic semiconductor devices | 2009-05-27 |
| US-2003032838-A1 | Substituted diboron compounds | 2000-07-07 |
| US-6794529-B2 | Substituted diboron compounds | 2000-07-07 |
| AU-1958500-A | Hydroboronation process | 1998-11-06 |
| AU-759642-B2 | Hydroboronation process | 1998-11-06 |
| CA-2348486-A1 | Hydroboronation process | 1998-11-06 |
| DE-69916308-T2 | HYDROBORONATIONSVERFAHREN | 1998-11-06 |
