1-Acetylpyrene - CAS 3264-21-9

Name: 1-Acetylpyrene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	1-pyren-1-ylethanone
Description:	1-Acetylpyrene has been studied as a starting material in numerous reactions, including ethynylpyrene synthesis, pyrene derivative synthesis, tertiary alcohol synthesis, and other pyrene-based products.
Molecular Weight:	244.29
Molecular Formula:	C18H12O
Canonical SMILES:	CC(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
InChI:	InChI=1S/C18H12O/c1-11(19)15-9-7-14-6-5-12-3-2-4-13-8-10-16(15)18(14)17(12)13/h2-10H,1H3
InChI Key:	KCIJNJVCFPSUBQ-UHFFFAOYSA-N
Boiling Point:	437.7 °C at 760 mmHg
Melting Point:	86-89 °C (lit.)
Purity:	95 %
Density:	1.262 g/cm³
Appearance:	Yellow to tan powder or crystals
MDL:	MFCD00021663
LogP:	4.78660

Publication Number	Title	Priority Date
CN-113461492-A	Liquid-phase fluorescence detection system based on selective depolymerization of chiral crystal interface	20210630
CN-112679377-A	Preparation method of N-acylpyrene amine and preparation method of 1-hydroxypyrene	20201225
CN-111635388-A	Pyrene and coumarin derivative-based bisulfite fluorescent probe, and preparation method and application thereof	20200609
CN-111072796-A	Pyrrolone photoinitiation system and application	20191230
CN-111072796-B	Pyrrolone photoinitiation system and application	20191230

PMID	Publication Date	Title	Journal
22566037	20120701	Synthesis, photophysical, photochemical, DNA cleavage/binding and cytotoxic properties of pyrene oxime ester conjugates	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
21832974	20110810	Li⁺ selective podand-type fluoroionophore based on a diphenyl sulfoxide derivative bearing two pyrene groups	Molecules (Basel, Switzerland)
21578017	20090930	(2E,4E,6E)-3-Methyl-7-(pyren-1-yl)octa-2,4,6-trienoic acid	Acta crystallographica. Section E, Structure reports online
17903258	20070928	Aroylketene dithioacetal chemistry: facile synthesis of 4-aroyl-3-methylsulfanyl-2-tosylpyrroles from aroylketene dithioacetals and TosMIC	Beilstein journal of organic chemistry
14606861	20031117	Synthesis and properties of rhenium carbonyl complexes of alpha,alpha'-bis[(1-pyrenyl)pyrazol-1-yl]alkane ligands	Inorganic chemistry

Complexity:	374
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.088815002
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	244.088815002
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.7