2H-PYRAN-3(4H)-ONE, DIHYDRO-
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2H-PYRAN-3(4H)-ONE, DIHYDRO-
structure -
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CAS No:
23462-75-1
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Formula:
C5H8O2
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Chemical Name:
2H-PYRAN-3(4H)-ONE, DIHYDRO-
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Synonyms:
DIHYDRO-PYRAN-3-ONE;2H-PYRAN-3(4H)-ONE, DIHYDRO-;5,6-Dihydro-2H-pyran-3(4H)-one;Tetrahydro-2H-pyran-3-one;2H-PYRAN-3(4H)-ONE;tetrahydro-2H-3-pyranone;2H-PYRAN-3(4H)-ONE, DIHYD...;oxan-3-one
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CAS No:
2H-PYRAN-3(4H)-ONE, DIHYDRO- Basic Attributes
100.12
100.052429
1312995-182-4
DTXSID40178015
2932999099
Safety Information
IRRITANT
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501
H226
|Warning|H226 (33.33%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2H-PYRAN-3(4H)-ONE, DIHYDRO- Use and Manufacturing
Compound 2 (300 g, 2.9 mol) was dissolved in 3000 g of dichloromethane and sodium acetate (287 g, 3.5 mol) was added.TEMPO 6g, add sodium dichloroisocyanurate (374g, 1.7mol) in batch at 25°C, maintain the reaction at 25°C for 2h, filter, The organic phase was dried with 200g of anhydrous sodium sulfate, filtered and concentrated in a water pump and distilled to collect the oil temperature of 120°C and the top temperature of 90°C.250 g of a colorless oily liquid having a purity of 99percent and a yield of 83percent.To PCC (10.35 g, 48 mmol)Tetrahydro-2H-pyran-3-ol (3.27 g, 32 mmol) was added to a solution of dichloromethane (100 mL).The reaction was stirred overnight at room temperature and partially concentrated.The residue was diluted with ethyl acetate (100 mL) and filtered over celite.The filtrate was concentrated under reduced pressure, and the resulting residue was purified by column chromatography on silica gel (PE/EtOAc (v/v) = 2/1).The title compound was obtained as a colorless oil (1.037 g, 32.4percent).
Computed Properties
Molecular Weight:100.12
Hydrogen Bond Acceptor Count:2
Exact Mass:100.052429494
Monoisotopic Mass:100.052429494
Topological Polar Surface Area:26.3
Heavy Atom Count:7
Complexity:78.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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