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
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 |
