2-(3-Cyanophenyl)-5,5μ-dimethyl-1,3,2-dioxaborinane
Product Information
Molecular Formula
C12H14O2BN
Molecular Weight
215.1
Description
2-(3-Cyanophenyl)-5,5μ-dimethyl-1,3,2-dioxaborinane is an advanced pharmaceutical compound that demonstrates unparalleled potential in addressing a plethora of ailments, notably cancer, through the selective suppression of distinct molecular entities.
Synonyms
3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile; 214360-45-9; 3-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile; (3-Cyanophenyl)boronicacid,neopentylglycolester; 651168_ALDRICH; SCHEMBL5265998
IUPAC Name
3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
SMILES
B1(OCC(CO1)(C)C)C2=CC(=CC=C2)C#N
InChI
InChI=1S/C12H14BNO2/c1-12(2)8-15-13(16-9-12)11-5-3-4-10(6-11)7-14/h3-6H,8-9H2,1-2H3
InChI Key
RTYUBKQTFNAFQC-UHFFFAOYSA-N
Boiling Point
350.2°C at 760 mmHg
Melting Point
85-87°C
Purity
95%
Density
1.08g/cm3
Safety Information
Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
215.1117589 g/mol
Monoisotopic Mass
215.1117589 g/mol
Topological Polar Surface Area
42.2Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
287
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 |
|---|---|---|
| US-2019327974-A1 | Synergists for improved pesticides | 2017-01-09 |
| WO-2018127928-A1 | Synergists for improved pesticides | 2017-01-09 |
| AU-2014255326-A1 | Antibacterial biaromatic derivatives | 2013-04-16 |
| AU-2014255326-B2 | Antibacterial biaromatic derivatives | 2013-04-16 |
| CA-2907832-A1 | Antibacterial biaromatic derivatives | 2013-04-16 |
| EA-029361-B1 | ANTIBACTERIAL BIAROMATIC DERIVATIVES | 2013-04-16 |
| EP-2986607-A1 | Antibacterial biaromatic derivatives | 2013-04-16 |
| EP-2986607-B1 | Antibacterial biaromatic derivatives | 2013-04-16 |
| ES-2640482-T3 | Antibacterial biaromatic derivatives | 2013-04-16 |
| JP-2016516805-A | Diaromatic derivatives having antibacterial activity | 2013-04-16 |
