trans-2-(Pinacol boronate)vinylboronic acid MIDA ester
Product Information
Molecular Formula
C13H21B2NO6
Molecular Weight
308.93
Description
trans-2-(Pinacol boronate)vinylboronic acid MIDA ester is a remarkable compound in the field of biomedicine. Operating as a boronic acid derivative, it partakes in synthesizing pharmaceutical intermediates for diverse medicinal agents, meticulously tackling afflictions including cancer, diabetes, and inflammation. By virtue of its unparalleled chemical attributes, this compound augments the creation of targeted therapeutic approaches, thus catalyzing pivotal progressions in the realm of biomedicine.
Synonyms
(E)-(2-Pinacolethenyl)boronate MIDA ester,trans-(2-Pinacolethenyl)boronate MIDA ester
IUPAC Name
6-methyl-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,6,2-dioxazaborocane-4,8-dione
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C=CB2OC(C(O2)(C)C)(C)C
InChI
InChI=1S/C13H21B2NO6/c1-12(2)13(3,4)22-15(21-12)7-6-14-19-10(17)8-16(5)9-11(18)20-14/h6-7H,8-9H2,1-5H3/b7-6+
InChI Key
MVTNIQCFWSPASI-VOTSOKGWSA-N
Melting Point
254-260 °C
Flash Point
Not applicable
Purity
96%
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
2
Exact Mass
309.1554977 g/mol
Monoisotopic Mass
309.1554977 g/mol
Topological Polar Surface Area
74.3Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
457
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
