1-(Tetrahydropyran-2-yl)-1H-pyrazole-5-boronic acid pinacol ester
Product Information
Molecular Formula
C14H23BN2O3
Molecular Weight
278.15
Description
1-(Tetrahydropyran-2-yl)-1H-pyrazole-5-boronic acid pinacol ester can be used as a reactant in Suzuki coupling reaction for the preparation of heteroaryl scaffolds via formation of C-C bond and to synthesize darolutamide derivatives as potential androgen receptor inhibitors.
Synonyms
1-(Tetrahydro-2H-pyran-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 1-(2-Tetrahydropyranyl)-1H-Pyrazole-5-Boronic acid pinacol ester; 1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazole-5-boronic acid pinacol ester; MFCD09037501; 1-(oxan-2-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 1-(Oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 1-THP-1H-PYRAZOLYL-5-BORONIC ACID PINACOL ESTER; 1-(2-Tetrahydropyranyl)pyrazole-5-boronic Acid Pinacol Ester; 1-(2-Tetrahydropyranyl)-1H-pyrazole-5-boronic acid pinacol ester; 1-THP-1H-Pyrazolyl-5-boronic acid pinacol ester; 1-(TETRAHYDROPYRAN-2-YL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE; 2-(1-(2H-3,4,5,6-tetrahydropyran-2-yl)pyrazol-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; PubChem18442; ACMC-209ygx; AMTB162; KSC915I9P; SCHEMBL365094
IUPAC Name
1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2C3CCCCO3
InChI
InChI=1S/C14H23BN2O3/c1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12/h8-9,12H,5-7,10H2,1-4H3
InChI Key
ZZRFDLHBMBHJTI-UHFFFAOYSA-N
Boiling Point
413.8±35.0 °C (Predicted)
Melting Point
74-78 °C
Flash Point
Not applicable
Purity
> 98 % (GC)
Density
1.160±0.10 g/cm3 (Predicted)
Appearance
White to quasi-white powder
Storage
2-8 °C
LogP
1.88140
Safety Information
Precautionary Statement
P264, P270, P273, P301+P317, P330, P391, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
278.1801728 g/mol
Monoisotopic Mass
278.1801728 g/mol
Topological Polar Surface Area
45.5Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
348
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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-2022026892-A1 | Piperidin-1- yl-n-pyrydi ne-3-yl-2-oxoacet am ide derivatives useful for the treatment of mtap-deficient and/or mt a-accumulating cancers | 2020-07-31 |
| WO-2022005961-A1 | Prpk inhibitors | 2020-06-29 |
| WO-2021263203-A1 | Cxcr4 inhibitors and uses thereof | 2020-06-26 |
| WO-2021229145-A1 | Method for the preparation of androgen receptor antagonists and intermediates thereof | 2020-05-11 |
| US-2021317079-A1 | Tetralin and tetrahydroquinoline compounds as inhibitors of hif-2alpha | 2020-03-19 |
| CN-113292536-A | Compound capable of degrading Bcr-Abl or PARP and preparation method and pharmaceutical application thereof | 2020-02-21 |
| WO-2021133957-A1 | Benzimidazole compounds as hdac6 inhibitors | 2019-12-27 |
| US-2022041584-A1 | Benzimidazole compounds as hdac6 inhibitors | 2019-12-27 |
| WO-2021127166-A1 | Inhibitors of enl/af9 yeats | 2019-12-17 |
