5-Quinolineboronic Acid Pinacol Ester - CAS 1021868-08-5
Catalog: |
BB000798 |
Product Name: |
5-Quinolineboronic Acid Pinacol Ester |
CAS: |
1021868-08-5 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline |
Description: | 5-Quinolineboronic Acid Pinacol Ester (CAS# 1021868-08-5) is a useful reactant for the synthesis of polycyclic aromatic imides via palladium-catalyzed annulation. |
Molecular Weight: | 255.12 |
Molecular Formula: | C15H18NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC=NC3=CC=C2 |
InChI: | InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)12-8-5-9-13-11(12)7-6-10-17-13/h5-10H,1-4H3 |
InChI Key: | YXRNJSUZRJEHPV-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 2.53400 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20190110736-A | Novel triazolone derivatives or its salt and pharmaceutical compositions comprising the same | 20180321 |
US-2019322655-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
CN-111886233-A | Novel triazolone derivative or salt thereof and pharmaceutical composition comprising the same | 20180321 |
US-10995086-B2 | Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
US-2021317110-A1 | Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
Complexity: | 329 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.143059 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.143059 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 31.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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