4-Chromanone - CAS 491-37-2

Catalog:	BB026639
Product Name:	4-Chromanone
CAS:	491-37-2
Synonyms:	3,4-dihydro-2H-1-benzopyran-4-one; 2,3-dihydrochromen-4-one

Technical Data

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Computed Properties

IUPAC Name:	2,3-dihydrochromen-4-one
Description:	4-Chromanone (CAS# 491-37-2) is used in the synthesis of potent antagonists of group-II metabotropic glutamate receptors. Also used in the preparation of flavonoid inhibitors.
Molecular Weight:	148.16
Molecular Formula:	C9H8O2
Canonical SMILES:	C1COC2=CC=CC=C2C1=O
InChI:	InChI=1S/C9H8O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2
InChI Key:	MSTDXOZUKAQDRL-UHFFFAOYSA-N
Boiling Point:	127-128 °C (13 mmHg)
Density:	1.196 g/cm³
MDL:	MFCD00006840
LogP:	1.65180

Publication Number	Title	Priority Date
US-2021179554-A1	Onium salt compound, chemically amplified resist composition and patterning process	20191212
WO-2021115432-A1	Novel quinazoline-containing compound, and intermediate thereof and use thereof	20191211
WO-2021097139-A1	Chiral synthesis of a tertiary alcohol	20191115
WO-2021062482-A1	Antiviral compounds and their use	20191003
US-2021101892-A1	Bicyclic compound and use thereof	20191002

PMID	Publication Date	Title	Journal
23010624	20121201	The influence of β-cyclodextrin encapsulation on the binding of 2'-hydroxyflavanone with calf thymus DNA	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22978790	20121005	Enantioselective total synthesis of (+)-lithospermic acid	Organic letters
22746324	20120823	Synthesis and evaluation of substituted chroman-4-one and chromone derivatives as sirtuin 2-selective inhibitors	Journal of medicinal chemistry
22789709	20120815	Synthesis and biological evaluation of α-methylidene-δ-lactones with 3,4-dihydrocoumarin skeleton	Bioorganic & medicinal chemistry
22696300	20120716	Total synthesis of a noricumazole\u2005A library and evaluation of HCV inhibition	Chemistry (Weinheim an der Bergstrasse, Germany)

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
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[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride

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GHS Hazard Statement:	H303 (33.33%): May be harmful if swallowed [Warning Acute toxicity, oral]; H315 (66.67%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (66.67%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (66.67%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.052429494
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	148.052429494
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4