8-Quinolinecarboxylic acid - CAS 86-59-9
Catalog: |
BB037994 |
Product Name: |
8-Quinolinecarboxylic acid |
CAS: |
86-59-9 |
Synonyms: |
quinoline-8-carboxylic acid |
IUPAC Name: | quinoline-8-carboxylic acid |
Description: | 8-Quinolinecarboxylic acid (CAS# 86-59-9) is an intermediate in the synthesis of FP-TZTP, >85% (F756500) which is an M2 selective muscarinic agonist that may allow noninvasive studies of Alzheimer's disease with PET. |
Molecular Weight: | 173.17 |
Molecular Formula: | C10H7NO2 |
Canonical SMILES: | C1=CC2=C(C(=C1)C(=O)O)N=CC=C2 |
InChI: | InChI=1S/C10H7NO2/c12-10(13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,(H,12,13) |
InChI Key: | QRDZFPUVLYEQTA-UHFFFAOYSA-N |
Boiling Point: | 386.5 °C at 760 mmHg |
Melting Point: | 183-185 °C |
Density: | 1.339 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD00047619 |
LogP: | 1.93300 |
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-113200908-A | Tertiary amine-containing anthranilamide compound and preparation and application thereof | 20210409 |
CN-112174887-A | Method for preparing 8-quinoline carboxylic acid and derivatives thereof | 20201102 |
CN-111995575-A | Preparation method of quinoline amide compound | 20200911 |
CN-111925356-A | Synthesis method and application of chiral quinoline-imidazoline ligand | 20200817 |
WO-2021092525-A1 | Wdr5 inhibitors and modulators | 20191108 |
PMID | Publication Date | Title | Journal |
21434606 | 20110415 | Mild and selective vanadium-catalyzed oxidation of benzylic, allylic, and propargylic alcohols using air | Organic letters |
21189019 | 20110127 | Identifying chelators for metalloprotein inhibitors using a fragment-based approach | Journal of medicinal chemistry |
21103540 | 20101228 | Syntheses of 8-quinolinolatocobalt(III) complexes containing cyclen based auxiliary ligands as models for hypoxia-activated prodrugs | Dalton transactions (Cambridge, England : 2003) |
20946357 | 20101101 | Electronic tuning of ruthenium complexes by 8-quinolate ligands | Photochemistry and photobiology |
20557093 | 20100719 | Carboxylate tolerance of the redox-active platform [Ru(mu-tppz)Ru](n), where tppz = 2,3,5,6-tetrakis(2-pyridyl)pyrazine, in the electron-transfer series [(L)ClRu(mu-tppz)RuCl(L)](n), n = 2+, +, 0, -, 2-, with 2-picolinato, quinaldato, and 8-quinolinecarboxylato ligands (L(-)) | Inorganic chemistry |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.047678466 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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