3,5-Diiodo-2-methoxyphenylboronic acid

Inquiry

Molecular Formula:

C7H7BI2O3

Molecular Weight:

403.7

CAS Number:

1072951-59-7

Catalog Number:

1072951-59-7

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

403.85777 g/mol

Monoisotopic Mass

403.85777 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

170

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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