2,3,6,7-Tetrahydro-8-hydroxy-1H,5H-benzo[ij]quinolizine-9-carboxaldehyde - CAS 63149-33-7

Name: 2,3,6,7-Tetrahydro-8-hydroxy-1H,5H-benzo[ij]quinolizine-9-carboxaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032029
Product Name:	2,3,6,7-Tetrahydro-8-hydroxy-1H,5H-benzo[ij]quinolizine-9-carboxaldehyde
CAS:	63149-33-7
Synonyms:	6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde

Technical Data

IUPAC Name:	6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-7-carbaldehyde
Description:	2,3,6,7-Tetrahydro-8-hydroxy-1H,5H-benzo[ij]quinolizine-9-carboxaldehyde (CAS# 63149-33-7) is a reactant in the development of iminocoumarin-based zinc sensor suitable for ratiometric fluorescence imaging of neuronal zinc.
Molecular Weight:	217.26
Molecular Formula:	C13H15NO2
Canonical SMILES:	C1CC2=C3C(=C(C(=C2)C=O)O)CCCN3C1
InChI:	InChI=1S/C13H15NO2/c15-8-10-7-9-3-1-5-14-6-2-4-11(12(9)14)13(10)16/h7-8,16H,1-6H2
InChI Key:	NRZXBDYODHLZBF-UHFFFAOYSA-N
Boiling Point:	417.3 °C at 760 mmHg
Melting Point:	72-74 °C
Purity:	96.0 % (HPLC)
Density:	1.3 g/cm³
Appearance:	Tan crystalline
MDL:	MFCD00192477
LogP:	1.96850

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-2021176428-A1	Phenanthroline, carbazole and flavylium based cyanines and compositions and methods of making and using the same	20200306
CN-111233880-A	Preparation method of highly sensitive hypochlorite fluorescent probe with extremely low background fluorescence	20200228
WO-2020156832-A1	Dichroic azo-azomethine dyes for liquid crystal compositions	20190201
CN-113366063-A	Dichroic azo-azomethine dyes for liquid crystal compositions	20190201
CA-3025880-C	Coumarin compounds and their uses as fluorescent labels	20161222

PMID	Publication Date	Title	Journal
24749861	20140522	Synthesis of novel tricyclic chromenone-based inhibitors of IRE-1 RNase activity	Journal of medicinal chemistry
19483107	20090801	Comparative study of inhibition at multiple stages of amyloid-beta self-assembly provides mechanistic insight	Molecular pharmacology
16793260	20060901	Synthesis and anti-angiogenesis activity of coumarin derivatives	Bioorganic & medicinal chemistry letters

Complexity:	281
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.110278721
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	217.110278721
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5