1,1-Diethoxyethene - CAS 2678-54-8

Catalog:	BB019360
Product Name:	1,1-Diethoxyethene
CAS:	2678-54-8
Synonyms:	Ethene, 1,1-diethoxy-; Ketene diethyl acetal; Ketene diethylacetal; 1-ethoxy-ethenoxy-ethane

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Catalog	Size	Price	Stock	Quantity
BB019360	10 g	$398	In stock

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Technical Data

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Computed Properties

IUPAC Name:	1,1-diethoxyethene
Description:	1,1-Diethoxyethene acts as a synthetic equivalent of ketene in organic synthesis.
Molecular Weight:	116.16
Molecular Formula:	C6H12O2
Canonical SMILES:	CCOC(=C)OCC
InChI:	InChI=1S/C6H12O2/c1-4-7-6(3)8-5-2/h3-5H2,1-2H3
InChI Key:	VTGIVYVOVVQLRL-UHFFFAOYSA-N
Boiling Point:	105.6±13.0 °C at 760 mmHg
Melting Point:	49-50 °C(lit.)
Purity:	95%
Density:	0.9±0.1 g/cm3
MDL:	MFCD00467747
LogP:	1.53060

Publication Number	Title	Priority Date
WO-2021150574-A1	Sulfonimidamide compounds as nlrp3 modulators	20200122
US-2020354345-A1	Modulators of thr-beta and methods of use thereof	20190508
WO-2020227549-A1	MODULATORS OF THR-Î² AND METHODS OF USE THEREOF	20190508
US-11091467-B2	Modulators of THR-Î² and methods of use thereof	20190508
WO-2020151738-A1	Macrocyclic fused pyrrazoles as mcl-1 inhibitors	20190123

PMID	Publication Date	Title	Journal
19886665	20091125	Lewis acid catalyzed inverse-electron-demand Diels-Alder reaction of tropones	Journal of the American Chemical Society
19345113	20090701	An ion/molecule reaction for the identification of analytes with two basic functional groups	Journal of the American Society for Mass Spectrometry
19259339	20090101	Catalytic synthesis of (E)-alpha,beta-unsaturated esters from aldehydes and 1,1-diethoxyethylene	Beilstein journal of organic chemistry
18605755	20080801	Photochemical cycloaddition of mono-, 1,1-, and 1,2-disubstituted olefins to a chiral 2(5H)-furanone. Diastereoselective synthesis of (+)-lineatin	The Journal of organic chemistry
17583347	20070719	Stereoselective route to oxetanocin carbocyclic analogues based on a [2 + 2] photocycloaddition to a chiral 2(5H)-furanone	Organic letters

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	60.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	116.083729621
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	116.083729621
Rotatable Bond Count:	4
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7