Tetrahydrothiopyran-4-one - CAS 1072-72-6

Catalog:	BB002017
Product Name:	Tetrahydrothiopyran-4-one
CAS:	1072-72-6
Synonyms:	4-thianone; thian-4-one

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	thian-4-one
Description:	Tetrahydrothiopyran-4-one (CAS# 1072-72-6) is a cyclic carbonyl compound used as a reactant in the stereoselective preparation of [aryl(nitro)ethyl] carbonyl compounds via asymmetric Michael addition to nitroolefins catalyzed by chiral pyrrolidine-pyridine conjugate bases.
Molecular Weight:	116.18
Molecular Formula:	C5H8OS
Canonical SMILES:	C1CSCCC1=O
InChI:	InChI=1S/C5H8OS/c6-5-1-3-7-4-2-5/h1-4H2
InChI Key:	OVRJVKCZJCNSOW-UHFFFAOYSA-N
Boiling Point:	218.7 °C at 760 mmHg
Density:	1.134 g/cm³
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD00006660
LogP:	1.08250

Publication Number	Title	Priority Date
JP-2021046434-A	A new method for producing a perfluoroalkylating agent using monohydroperfluoroalkane as a starting material, and a method for producing an aromatic perfluoroalkyl compound using them.	20201207
JP-2021054833-A	A new method for producing a perfluoroalkylating agent using monohydroperfluoroalkane as a starting material, and a method for producing an aromatic perfluoroalkyl compound using them.	20201207
JP-2021054834-A	A new method for producing a perfluoroalkylating agent using monohydroperfluoroalkane as a starting material, and a method for producing an aromatic perfluoroalkyl compound using them.	20201207
CN-112479984-A	Method for synthesizing enol trifluoromethanesulfonate	20201127
CN-112341476-A	High-enantioselectivity 7-thia-2-azaspiro [4.5] decane compound and synthesis method thereof	20201116

PMID	Publication Date	Title	Journal
22489138	20120101	BDMC33, A curcumin derivative suppresses inflammatory responses in macrophage-like cellular system: role of inhibition in NF-κB and MAPK signaling pathways	International journal of molecular sciences
22059005	20110901	5-(4-Chloro-phen-yl)-1-methyl-3-phenyl-3,6,8,9-tetra-hydro-pyrazolo-[3,4-b]thio-pyrano[4,3-d]pyridine	Acta crystallographica. Section E, Structure reports online
21578448	20091028	(S)-3-[(S,E)-4-(4-Chloro-phen-yl)-1-nitro-but-3-en-2-yl]thian-4-one	Acta crystallographica. Section E, Structure reports online
19374375	20090501	Efficient method for the synthesis of pyranoquinoline, thiopyranoquinoline, thienoquinoline, and naphtho[2,7]naphthyridine derivatives catalyzed by iodine	Journal of combinatorial chemistry
17824659	20070928	The thiopyran route to polypropionates: enantioselective synthesis of membrenone B from racemic fragments	The Journal of organic chemistry

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
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[1427004-19-0]
DBCO-PEG4-NHS ester
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

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[128076-60-8]
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[1365727-07-6]
6-Methyldi(ondansetron-3-de(1,2-dimethyl-1H-imidazole))
[86271-48-9]
5-[Bis(2-hydroxyethyl)amino]-2-pentanone
[79407-66-2]
3-(2,4-Dihydroxyphenyl)-2-propenal
[1195209-18-7]
H-Glu-nh2 Hydrochloride

GHS Hazard Statement:	H315 (50%): 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:	72.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	116.02958605
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	116.02958605
Rotatable Bond Count:	0
Topological Polar Surface Area:	42.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3