2-Methylquinoline-6-boronic acid MIDA ester

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Product Information

Molecular Formula:
C15H15BN2O4
Molecular Weight:
298.10
Description
As a pharmaceutical intermediate, 2-Methylquinoline-6-boronic acid MIDA ester contributes to the development of drugs specifically designed to treat a variety of diseases, including but not limited to cancer, inflammation-related diseases, and nervous system damage.
Synonyms
6-METHYL-2-(2-METHYLQUINOLIN-6-YL)-1,3,6,2-DIOXAZABOROCANE-4,8-DIONE; 2-Methylquinoline-6-boronic acid MIDA ester; 2-Methylquinoline-6-boronic acid MIDA ester, 95%
IUPAC Name
6-methyl-2-(2-methylquinolin-6-yl)-1,3,6,2-dioxazaborocane-4,8-dione
Canonical SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=CC3=C(C=C2)N=C(C=C3)C
InChI
InChI=1S/C15H15BN2O4/c1-10-3-4-11-7-12(5-6-13(11)17-10)16-21-14(19)8-18(2)9-15(20)22-16/h3-7H,8-9H2,1-2H3
InChI Key
XDZZRHJGLBVWIH-UHFFFAOYSA-N
Melting Point
208-213 °C
Flash Point
Not applicable
Purity
95%
Storage
2-8°C

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
298.1124871 g/mol
Monoisotopic Mass
298.1124871 g/mol
Topological Polar Surface Area
68.7Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
427
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
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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