4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

Product Information

Molecular Formula:
C13H17BO3
Molecular Weight:
232.08328
Description
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde is a remarkable biomedical agent. With its exceptional pharmaceutical potential, this compound serves as a pivotal intermediate in medicinal formulations, facilitating the synthesis of groundbreaking drugs targeting cancer, inflammation, and neurological anomalies. Its distinctive and intricate chemical configuration imparts invaluable contributions to the realm of biomedicine research, propelling the advancement of revolutionary therapeutic approaches and pharmaceutical innovations.
Synonyms
128376-64-7; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde; 4-Formylphenylboronicacidpinacolester; 4-formylbenzeneboronicacid,pinacolester; 4-formylphenylboronicacidpinacolate; 4-formylphenylboronicacidpinacolcyclicester
IUPAC Name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C13H17BO3/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-9H,1-4H3
InChI Key
DMBMXJJGPXADPO-UHFFFAOYSA-N
Boiling Point
341.3°C at 760 mmHg
Melting Point
55-58°C
Flash Point
Not applicable
Purity
95%
Density
1.06g/cm3
Appearance
Light yellow powder

Safety Information

Hazards
H317
Precautionary Statement
P280

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
232.1270746 g/mol
Monoisotopic Mass
232.1270746 g/mol
Topological Polar Surface Area
35.5Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
277
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

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Literatures

PMID Publication Date Title Journal
23125655 2012-10-01 2,2'-{[(2,2'-Dieth-oxy-1,1'-binaphthalene-6,6'-di-yl)bis-(4,1-phenyl-ene)]bis-(methan-ylyl-idene)}dimalononitrile Acta crystallographica. Section E, Structure reports online
22669190 2012-06-01 1-[5-(4,5-Dimethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]ethanone and 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde Acta crystallographica. Section C, Crystal structure communications
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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