3,5-Diiodo-2-methoxyphenylboronic acid
Product Information
Molecular Formula
C7H7BI2O3
Molecular Weight
403.7
Description
3,5-Diiodo-2-methoxyphenylboronic acts as a crucial precursor in the synthesis of novel boron-containing pharmaceutical agents, targeting specific proteins or enzymes involved in disease processes. This compound exhibits potential antitumor and antibacterial activities, making it a promising candidate for therapeutic interventions against cancer and microbial infections.
Synonyms
(3,5-diiodo-2-methoxyphenyl)boronicacid; 3,5-Diiodo-2-methoxyphenylboronicacid; 1072951-59-7; (3,5-Diiodo-2-methoxyphenyl)boronicacid; C7H7BI2O3; ACMC-2098t6
IUPAC Name
(3,5-diiodo-2-methoxyphenyl)boronic acid
SMILES
B(C1=CC(=CC(=C1OC)I)I)(O)O
InChI
InChI=1S/C7H7BI2O3/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3,11-12H,1H3
InChI Key
GLXUCKYNVDXHBW-UHFFFAOYSA-N
Melting Point
140-144 °C (dec.)
Purity
97%
Appearance
White to tan solid
Storage
2-8°C
Safety Information
Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
403.85777 g/mol
Monoisotopic Mass
403.85777 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
170
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-2015315127-A1 | Therapeutic compounds | 2009-05-05 |
| US-9024071-B2 | Therapeutic compounds | 2009-05-05 |
