7,8-Dihydroquinolin-5(6H)-one - CAS 53400-41-2
Catalog: |
BB028198 |
Product Name: |
7,8-Dihydroquinolin-5(6H)-one |
CAS: |
53400-41-2 |
Synonyms: |
7,8-dihydro-6H-quinolin-5-one; 7,8-dihydro-6H-quinolin-5-one |
IUPAC Name: | 7,8-dihydro-6H-quinolin-5-one |
Description: | 7,8-Dihydroquinolin-5(6H)-one (CAS# 53400-41-2) is used as a reagent in the synthesis of pyridino N-alkylated nicotine analogs which can serve as nicotinic acetylcholine receptor antagonists. 7,8-Dihydro-5(6H)-quinolone is also used in the total synthesis of (±)-tangutorine, a novel indole alkaloid. |
Molecular Weight: | 147.17 |
Molecular Formula: | C9H9NO |
Canonical SMILES: | C1CC2=C(C=CC=N2)C(=O)C1 |
InChI: | InChI=1S/C9H9NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h2-3,6H,1,4-5H2 |
InChI Key: | YHHBKPWMEXGLKE-UHFFFAOYSA-N |
Boiling Point: | 269.3 °C at 760 mmHg |
Density: | 1.168 g/cm3 |
Appearance: | Solid |
MDL: | MFCD02181161 |
LogP: | 1.60060 |
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 |
WO-2021097139-A1 | Chiral synthesis of a tertiary alcohol | 20191115 |
CN-110511220-A | As the para diaminobenzene derivative of potassium channel modulating agents, preparation method and its application in medicine | 20180522 |
WO-2019223732-A1 | P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof | 20180522 |
AU-2019272383-A1 | P-Phenylenediamine Derivative As Potassium Channel Regulator And Preparation Method And Medical Application Thereof | 20180522 |
CN-112119079-A | P-diaminobenzene derivatives as potassium channel modulators, process for their preparation and their use in medicine | 20180522 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.068413911 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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