4-Hydroxy-6-methyl-2-pyrone - CAS 675-10-5

Catalog:	BB033298
Product Name:	4-Hydroxy-6-methyl-2-pyrone
CAS:	675-10-5
Synonyms:	4-hydroxy-6-methylpyran-2-one

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	4-hydroxy-6-methylpyran-2-one
Description:	4-Hydroxy-6-methylpyran-2-one was used in the synthesis of pyrano[3,2-c]pyridones with antiproliferative and apoptosis inducing activities. It was also used in the design of benzisothiazolone human leukocyte elastase inhibitors.
Molecular Weight:	126.11
Molecular Formula:	C6H6O3
Canonical SMILES:	CC1=CC(=CC(=O)O1)O
InChI:	InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3
InChI Key:	NSYSSMYQPLSPOD-UHFFFAOYSA-N
Boiling Point:	285.9 °C at 760 mmHg
Purity:	98 %
Density:	1.348 g/cm³
MDL:	MFCD00006641
LogP:	0.65380

Publication Number	Title	Priority Date
US-2021154204-A1	Inhibitors of receptor interacting protein kinase i for the treatment of disease	20191126
WO-2021108198-A1	Inhibitors of receptor interacting protein kinase i for the treatment of disease	20191126
US-2020362467-A1	1,2,4-TRIAZOLO[1,5-a] PYRIMIDINE DERIVATIVE AS COPPER CORROSION INHIBITOR	20190513
WO-2020231723-A1	1,2,4-triazolo[1,5-a] pyrimidine derivative as copper corrosion inhibitor	20190513
WO-2020210810-A1	Compositions and methods for using genetically modified enzymes	20190412

PMID	Publication Date	Title	Journal
23571415	20130601	Structure-based identification of OATP1B1/3 inhibitors	Molecular pharmacology
22925447	20120915	Structure-anti-leukemic activity relationship study of ortho-dihydroxycoumarins in U-937 cells: key role of the δ-lactone ring in determining differentiation-inducing potency and selective pro-apoptotic action	Bioorganic & medicinal chemistry
22105795	20120401	Synthesis and antimicrobial evaluation of new pyrano[4,3-b]pyran and Pyrano[3,2-c]chromene derivatives bearing a 2-thiophenoxyquinoline nucleus	Archiv der Pharmazie
22259520	20120101	Ethyl 2-(2-amino-5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7-yl)acetate	Acta crystallographica. Section E, Structure reports online
21757362	20110815	Single step synthesis of strigolactone analogues from cyclic keto enols, germination stimulants for seeds of parasitic weeds	Bioorganic & medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea

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:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.031694049
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	126.031694049
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5