trans-Crotylboronic acid pinacol ester
Product Information
Molecular Formula
C10H19BO2
Molecular Weight
182.07
Description
trans-Crotylboronic acid pinacol ester is a vital chemical compound used in biomedicine. It plays a crucial role in the development of novel drugs to treat various diseases and disorders. This product is commonly utilized as a key building block in the synthesis of pharmaceuticals targeting cancer, viral infections, and neurodegenerative conditions. Its exceptional reactivity and versatile nature make it an indispensable tool in the biomedical industry.
Synonyms
E-Crotylboronic acid pinacol ester, trans-2-(2-Buten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name
2-[(E)-but-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)CC=CC
InChI
InChI=1S/C10H19BO2/c1-6-7-8-11-12-9(2,3)10(4,5)13-11/h6-7H,8H2,1-5H3/b7-6+
InChI Key
ARSSMJZIAKUXEW-VOTSOKGWSA-N
Flash Point
145.4 °F
Purity
95%
Density
0.888 g/mL at 25°C
Storage
2-8°C
Refractive Index
n20/D 1.434
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
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
193
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
