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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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