7-Chloroquinoline-4-boronic Acid Pinacol Ester - CAS 871125-83-6
Catalog: |
BB038261 |
Product Name: |
7-Chloroquinoline-4-boronic Acid Pinacol Ester |
CAS: |
871125-83-6 |
Synonyms: |
7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline; 7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline |
IUPAC Name: | 7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline |
Description: | 7-Chloroquinoline-4-boronic Acid Pinacol Ester (CAS# 871125-83-6) is a useful research chemical. |
Molecular Weight: | 289.56 |
Molecular Formula: | C15H17ClNO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC(=CC3=NC=C2)Cl |
InChI: | InChI=1S/C15H17BClNO2/c1-14(2)15(3,4)20-16(19-14)12-7-8-18-13-9-10(17)5-6-11(12)13/h5-9H,1-4H3 |
InChI Key: | GZDUYRAAWRRVEY-UHFFFAOYSA-N |
Boiling Point: | 415 ℃ at 760 mmHg |
Melting Point: | 81-87 ℃ |
Purity: | 90 % |
Density: | 1.19 g/cm3 |
MDL: | MFCD07783020 |
LogP: | 3.18740 |
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 |
US-2010305096-A1 | Bicyclic pyrimidine pi3k inhibitor compounds selective for p110 delta, and methods of use | 20090527 |
US-2012178736-A1 | Bicyclic pyrimidine pi3k inhibitor compounds selective for p110 delta, and methods of use | 20090527 |
US-8173650-B2 | Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use | 20090527 |
US-8394796-B2 | Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use | 20090527 |
US-2010160280-A1 | Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors | 20081217 |
Complexity: | 361 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 289.1040866 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 289.1040866 |
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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