1-Methylindazole-4-boronic acid pinacol ester

Product Information

Molecular Formula:
C14H19BN2O2
Molecular Weight:
258.127
Description
1-Methylindazole-4-boronic acid pinacol ester is a pharmaceutical intermediate used in the synthesis of various drug molecules. In biomedicine, it serves as a key component in cancer therapeutics development due to its boronic acid functionality.
Synonyms
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole; 1-Methyl-1H-indazole-4-boronic acid pinacol ester; 1-Methylindazole-4-boronic acid pinacol ester; 1-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole; 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole; 1-Methyl-1H-indazole-4-boronic acid, pinacol ester; (1-METHYL-1H-INDAZOL-4-YL)BORONIC ACID PINACOL ESTER; 1-methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-indazole
IUPAC Name
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=NN(C3=CC=C2)C
InChI
InChI=1S/C14H19BN2O2/c1-13(2)14(3,4)19-15(18-13)11-7-6-8-12-10(11)9-16-17(12)5/h6-9H,1-5H3
InChI Key
OZHFBNULPUBRJF-UHFFFAOYSA-N
Melting Point
84-89 °C
Flash Point
Not applicable
Purity
97.0%
Storage
2-8°C

Safety Information

Hazards
H302

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
258.1539580 g/mol
Monoisotopic Mass
258.1539580 g/mol
Topological Polar Surface Area
36.3Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
345
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-2021239058-A1 Fused tricyclic compound, pharmaceutical composition thereof, and use thereof 2020-05-27
CN-109897036-B Triazolopyridine compound and preparation method and application thereof 2019-03-15
US-2020024281-A1 Further substituted triazolo quinoxaline derivatives 2018-07-20
US-10981918-B2 Further substituted triazolo quinoxaline derivatives 2018-07-20
BR-112021000950-A2 substituted triazole quinoxaline derivatives 2018-07-20
US-2021139488-A1 Substituted triazolo quinoxaline derivatives 2018-07-20
US-2021163491-A1 Further substituted triazolo quinoxaline derivatives 2018-07-20
TW-202005967-A Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase 2018-07-05
KR-20210005619-A Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors 2018-04-06
CN-111093645-A Selective inhibitors of clinically important mutants of EGFR tyrosine kinase 2017-07-05
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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