6-Methoxy-2-naphthaldehyde - CAS 3453-33-6

Name: 6-Methoxy-2-naphthaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB022172
Product Name:	6-Methoxy-2-naphthaldehyde
CAS:	3453-33-6
Synonyms:	6-methoxy-naphthalene-2-carbaldehyde; 6-Methoxy-2-naphthalaldehyde

Technical Data

IUPAC Name:	6-methoxynaphthalene-2-carbaldehyde
Description:	6-Methoxy-2-naphthaldehyde is used as a diagnostic reagent in tumor studies involving aldehyde dehydrogenase enzymes. In addition it is used in organic synthesis reactions forming fluorescent substrates for inhibition studies relating to hypertension and vascular inflammation. This compound is suitable for aldehyde dehydrogenase (ALDH) related research. 6-Methoxy-2-naphthaldehyde is also an impurity of Nabumetone, a non-steroidal anti-inflammatory drug.
Molecular Weight:	186.21
Molecular Formula:	C12H10O2
Canonical SMILES:	COC1=CC2=C(C=C1)C=C(C=C2)C=O
InChI:	InChI=1S/C12H10O2/c1-14-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h2-8H,1H3
InChI Key:	VZBLASFLFFMMCM-UHFFFAOYSA-N
Boiling Point:	340.2 °C at 760 mmHg
Melting Point:	80-82 °C
Density:	1.169 g/cm³
Appearance:	Yellow to beige-yellow crystals or crystalline
MDL:	MFCD00081152
LogP:	2.66090

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

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PMID	Publication Date	Title	Journal
22199825	20111201	(E)-1-(4,4''-Difluoro-5'-meth-oxy-1,1':3',1''-terphenyl-4'-yl)-3-(6-meth-oxy-naphthalen-2-yl)prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online
21798257	20111001	Alcohol dehydrogenase (ADH) isoenzymes and aldehyde dehydrogenase (ALDH) activity in the sera of patients with acute and chronic pancreatitis	Experimental and molecular pathology
21587540	20100911	(2E)-1-(3-Bromo-phen-yl)-3-(6-meth-oxy-2-naphth-yl)prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online
21587934	20100618	(2E)-1-(2,5-Dichloro-3-thien-yl)-3-(6-meth-oxy-2-naphth-yl)prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online
20931090	20100101	Salivary aldehyde dehydrogenase - temporal and population variability, correlations with drinking and smoking habits and activity towards aldehydes contained in food	Acta biochimica Polonica

Complexity:	203
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.068079557
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.068079557
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9