2,2-Dimethylethenylboronic Acid Pinacol Ester
Product Information
Molecular Formula
C10H19O2B
Molecular Weight
182.07
Description
2,2-Dimethylethenylboronic Acid Pinacol Ester (CAS# 126689-00-7) is a useful research chemical.
Synonyms
4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane
IUPAC Name
4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)C=C(C)C
InChI
InChI=1S/C10H19BO2/c1-8(2)7-11-12-9(3,4)10(5,6)13-11/h7H,1-6H3
InChI Key
LWXHOCHDERDUID-UHFFFAOYSA-N
Flash Point
150.1 °F - closed cup
Purity
97 %
Density
0.8879 g/mL at 25 °C
Refractive Index
n20/D 1.4422
LogP
2.58400
Safety Information
Precautionary Statement
P210, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
182.1478100 g/mol
Monoisotopic Mass
182.1478100 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
13
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 |
|---|---|---|
| CN-112266386-A | 2-chloroadenine derivative, preparation method and application | 2020-10-20 |
| WO-2022026892-A1 | Piperidin-1- yl-n-pyrydi ne-3-yl-2-oxoacet am ide derivatives useful for the treatment of mtap-deficient and/or mt a-accumulating cancers | 2020-07-31 |
| CN-113845531-A | Pyrazolo ring compound, pharmaceutical composition containing same, preparation method and application thereof | 2020-06-28 |
| WO-2021208963-A1 | Bcl-2 inhibitor | 2020-04-15 |
| WO-2021146370-A1 | Map4k1 inhibitors | 2020-01-15 |
| WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 2019-12-24 |
| CN-110885628-A | Water-based environment-friendly coating and preparation method thereof | 2019-12-20 |
| WO-2021030556-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | 2019-08-14 |
| TW-202115094-A | Modulators of cystic fibrosis transmembrane conductance regulator | 2019-08-14 |
| WO-2021007477-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 2019-07-11 |
