3-Pyridineboronic Acid Pinacol Ester - CAS 329214-79-1
Catalog: |
BB021483 |
Product Name: |
3-Pyridineboronic Acid Pinacol Ester |
CAS: |
329214-79-1 |
Synonyms: |
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
IUPAC Name: | 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 3-Pyridineboronic Acid Pinacol Ester (CAS# 329214-79-1) is an organoborane compound used in the preparation of polyazatriaryl ligands by sequential borylation/Suzuki-Miyaura coupling. 3-Pyridineboronic Acid Pinacol Ester is used in the preparation of pyrrolo[2,3-b]pyridine derivatives as kinase modulators. |
Molecular Weight: | 205.06 |
Molecular Formula: | C11H16NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=CC=C2 |
InChI: | InChI=1S/C11H16BNO2/c1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9/h5-8H,1-4H3 |
InChI Key: | XEMDFESAXKSEGI-UHFFFAOYSA-N |
Boiling Point: | 300.9 °C at 760 mmHg |
Melting Point: | 102-104.4 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.03 g/cm3 |
MDL: | MFCD03084758 |
LogP: | 1.38080 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113072562-A | GSK-3 beta inhibitor and preparation method and application thereof | 20210406 |
CN-112876456-A | Cinnoline compound PI3K kinase inhibitor, preparation method thereof and application thereof in pharmacy | 20210204 |
CN-112300134-A | ASK1 inhibitor and derivative thereof, preparation method, pharmaceutical composition and application | 20201030 |
CN-112250718-A | Photoelectric dual-response mercury ion probe and preparation method and application thereof | 20200820 |
CN-111640877-A | Organic electroluminescent element | 20200609 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.1274089 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.1274089 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 31.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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