1-Cyclopentyl-1H-pyrazole-4-boronic acid pinacol ester
Product Information
Molecular Formula
C14H23BN2O2
Molecular Weight
262.16
Description
1-Cyclopentyl-1H-pyrazole-4-boronic acid pinacol ester is a specialized reagent in medicinal chemistry, used in Suzuki-Miyaura Cross-coupling reactions. It's particularly effective in the synthesis of bioactive molecules often involved in anticancer and antiviral treatments.
Synonyms
1-Cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
IUPAC Name
1-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCCC3
InChI
InChI=1S/C14H23BN2O2/c1-13(2)14(3,4)19-15(18-13)11-9-16-17(10-11)12-7-5-6-8-12/h9-10,12H,5-8H2,1-4H3
InChI Key
OCBNABJVDPSMQY-UHFFFAOYSA-N
Melting Point
40-44 °C
Flash Point
Not applicable
Purity
97%
Storage
2-8°C
Safety Information
Hazards
H302
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
262.1852581 g/mol
Monoisotopic Mass
262.1852581 g/mol
Topological Polar Surface Area
36.3Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
326
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 |
|---|---|---|
| US-2021395251-A1 | Naphthyridinone compounds as jak2 v617f inhibitors | 2020-06-19 |
| CN-110862390-A | Fused tricyclic compound and application thereof in medicines | 2018-08-28 |
| WO-2020043080-A1 | Fused tricyclic compounds and uses thereof in medicine | 2018-08-28 |
| US-2021236493-A1 | Fused tricyclic compounds and uses thereof in medicine | 2018-08-28 |
| EP-3601267-A1 | 2-methyl-quinazolines | 2017-03-21 |
| WO-2018172250-A1 | 2-methyl-quinazolines | 2017-03-21 |
| AU-2017381629-A1 | Carboxylic acid aromatic amides as antagonists of Bradykinin B1 receptor | 2016-12-23 |
| EP-3558960-B1 | Carboxylic acid aromatic amides as antagonists of bradykinin b1 receptor | 2016-12-23 |
| JP-2019519484-A | Aromatic sulfonamide derivative | 2016-05-03 |
| US-2019119210-A1 | Aromatic sulfonamide derivatives | 2016-05-03 |
