6-Hydroxy-3,4-dihydro-2(1H)-quinolinone - CAS 54197-66-9

Catalog:	BB028551
Product Name:	6-Hydroxy-3,4-dihydro-2(1H)-quinolinone
CAS:	54197-66-9
Synonyms:	6-hydroxy-3,4-dihydro-1H-quinolin-2-one

Technical Data

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Computed Properties

IUPAC Name:	6-hydroxy-3,4-dihydro-1H-quinolin-2-one
Description:	A metabolite of Cilostazole.
Molecular Weight:	163.17
Molecular Formula:	C9H9NO2
Canonical SMILES:	C1CC(=O)NC2=C1C=C(C=C2)O
InChI:	InChI=1S/C9H9NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10-8/h2-3,5,11H,1,4H2,(H,10,12)
InChI Key:	HOSGXJWQVBHGLT-UHFFFAOYSA-N
Boiling Point:	424.5 °C at 760 mmHg
Melting Point:	229-237 °C
Purity:	98 %
Density:	1.282 g/cm³
Appearance:	Off-white solid
Storage:	Room temperature.
MDL:	MFCD02179410
LogP:	1.41490

Publication Number	Title	Priority Date
CN-111285803-A	Preparation method of 6-hydroxy-3, 4-dihydro-2 (1H) -quinolone	20200318
CN-111208230-A	Method for detecting American cockroach intestinal flora metabolite	20200119
US-2021147386-A1	Pyrrolidine and piperidine compounds	20191106
WO-2021090245-A1	Pyrrolidine and piperidine compounds	20191106
CN-112442013-A	Compound as thyroid hormone beta receptor agonist and application thereof	20190904

PMID	Publication Date	Title	Journal
22569263	20120405	UGT75L6 and UGT94E5 mediate sequential glucosylation of crocetin to crocin in Gardenia jasminoides	FEBS letters
22356237	20120101	Synthesis of 2'-substituted inosine analogs via unusual masking of the 6-hydroxyl group	Nucleosides, nucleotides & nucleic acids
21892461	20111014	Reducing the conformational flexibility of carbohydrates: locking the 6-hydroxyl group by cyclopropanes	Chemical communications (Cambridge, England)
21482420	20110906	Synthesis of β-(1→6)-linked N-acetyl-D-glucosamine oligosaccharide substrates and their hydrolysis by Dispersin B	Carbohydrate research
21372813	20110301	A practical guide to the synthesis and use of membrane-permeant acetoxymethyl esters of caged inositol polyphosphates	Nature protocols

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Related Functional Groups

Quinoline/Isoquinoline

[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[938001-63-9]
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
[77156-78-6]
4-Hydroxy-6-methoxyquinoline-3-carboxylic acid ethyl ester
[1203578-65-7]
7-Bromo-2-phenylquinoline
[312713-96-5]
7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
[1245816-24-3]
8-(Tributylstannyl)isoquinoline

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

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.063328530
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	163.063328530
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7