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
Canonical 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
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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