3-IODOPHENYLBORONIC ACID PINACOL ESTER, 97%
Product Information
Molecular Formula
C12H16BIO2
Molecular Weight
329.97
Description
3-IODOPHENYLBORONIC ACID PINACOL ESTER, 97% is an organic compound widely used as a drug synthesis reagent in the biomedical field. Its diverse applications include developing treatments for a range of diseases, including cancer, inflammation and neurological disorders.
Synonyms
2-(3-Iodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name
2-(3-iodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)I
InChI
InChI=1S/C12H16BIO2/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8H,1-4H3
InChI Key
HSHFNMSHDHAHDN-UHFFFAOYSA-N
Melting Point
70-75 °C
Flash Point
Not applicable
Purity
97%
Appearance
White to tan solid
Safety Information
Hazards
H302 - H413
Precautionary Statement
P273 - P301 + P312 + P330
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
330.02881 g/mol
Monoisotopic Mass
330.02881 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
252
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 |
|---|---|---|
| WO-2020239999-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 2019-05-31 |
| US-2021300918-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 2019-05-31 |
| AU-2020282005-A1 | Small molecule inhibitors of NF-kB inducing kinase | 2019-05-31 |
| US-11254673-B2 | Small molecule inhibitors of NF-κB inducing kinase | 2019-05-31 |
| JP-2019182779-A | New compounds | 2018-04-10 |
| AU-2013289429-A1 | New process for preparing arylboranes by arylation of organoboron compounds | 2012-07-13 |
| EP-2684887-A1 | New process for preparing arylboranes by arylation of organoboron compounds | 2012-07-13 |
| EP-2684887-B1 | New process for preparing arylboranes by arylation of organoboron compounds | 2012-07-13 |
| JP-2015525751-A | A new process for the preparation of arylboranes by arylation of organoboron compounds | 2012-07-13 |
| US-2015191493-A1 | New process for preparing arylboranes by arylation of organoboron compounds | 2012-07-13 |
