1-Boc-pyrazole-4-boronic acid pinacol ester
Product Information
Molecular Formula
C14H23BN2O4
Molecular Weight
294.15
Description
Reagent used for• Suzuki Coupling • Copper-catalyzed azidation Reagent used in Preparation of• Selective quinazolinyl-phenol inhibitors of CHK1 as potential antitumors and radioprotectants • Stereoselective synthesis of selective Cathepsin inhibitors
Synonyms
1,1-dimethylethyl ester 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-Pyrazole-1-carboxylic acid,1-tert-Butoxycarbonyl-4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)pyrazole,1-Boc-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole,1-Boc-4-pyrazoleboronic acid pinacol ester,4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-Boc-pyrazole,4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylic acid tert-butyl ester,tert-Butyl 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyrazolecarboxylate,[1-(tert-Butoxycarbonyl)-1H-pyrazol-4-yl]boronic acid pinacol ester
IUPAC Name
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H23BN2O4/c1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15/h8-9H,1-7H3
InChI Key
IPISOFJLWYBCAV-UHFFFAOYSA-N
Melting Point
82-86 °C (lit.)
Flash Point
Not applicable
Purity
97%
Storage
2-8°C
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
294.1750874 g/mol
Monoisotopic Mass
294.1750874 g/mol
Topological Polar Surface Area
62.6Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
404
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-2022028598-A1 | Atr inhibitors and uses thereof | 2020-08-07 |
| WO-2022032223-A1 | Compositions and methods for the treatment and diagnosis of cancer | 2020-08-07 |
| CN-111808079-A | Indole ASK1 small molecule inhibitor and preparation method and application thereof | 2020-08-05 |
| CN-112010860-A | Benzyloxypyrazolopyrimidine compounds, pharmaceutical compositions and uses thereof | 2020-08-05 |
| WO-2022020887-A1 | Treatment of cd151 related disorders | 2020-07-27 |
| WO-2022020888-A1 | Compounds | 2020-07-27 |
| WO-2022020889-A1 | Method of treatment of cytomegalovirus | 2020-07-27 |
| WO-2022020890-A1 | Treatment of veterinary conditions associated with cd151 | 2020-07-27 |
| WO-2022020891-A1 | Methods of prophylaxis and treatment of corona virus | 2020-07-27 |
| CN-113929678-A | ROCK inhibitor and preparation method and application thereof | 2020-07-14 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 7095 | 1976-01-01 | Reduction of psychotomimetic side effects of Ketalar (ketamine) by Rohypnol (flunitrazepam). A randomized, double-blind trial | Acta anaesthesiologica Scandinavica |
