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2,5-Dimethoxy-3-tetrahydrofurancarboxaldehyde, mixture of isomers

2,5-Dimethoxy-3-tetrahydrofurancarboxaldehyde, mixture of isomers - CAS 50634-05-4

Catalog:	BB027152
Product Name:	2,5-Dimethoxy-3-tetrahydrofurancarboxaldehyde, mixture of isomers
CAS:	50634-05-4
Synonyms:	2,5-dimethoxyoxolane-3-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,5-dimethoxyoxolane-3-carbaldehyde
Description:	2,5-Dimethoxytetrahydro-3-furancarboxaldehyde has been used as a reactant in the preparation of pyrrolone derivatives as antimalarial agents.
Molecular Weight:	160.17
Molecular Formula:	C7H12O4
Canonical SMILES:	COC1CC(C(O1)OC)C=O
InChI:	InChI=1S/C7H12O4/c1-9-6-3-5(4-8)7(10-2)11-6/h4-7H,3H2,1-2H3
InChI Key:	QMIGEDXMDGEZSR-UHFFFAOYSA-N
Boiling Point:	89 ℃ / 12 mmHg (lit.)
Density:	1.129 g/cm³
MDL:	MFCD00010283
LogP:	0.16680

Publication Number	Title	Priority Date
EP-3804812-A1	New carbazole derivatives sensitizing cells to anti-cancer agents	20191011
WO-2021069736-A1	New carbazole derivatives sensitizing cells to anti-cancer agents	20191011
WO-2020160180-A1	Compounds and uses thereof	20190129
WO-2020011848-A1	Polyamino biaryl compounds and their use	20180711
EP-3820862-A1	Polyamino biaryl compounds and their use	20180711

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.07355886
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	160.07355886
Rotatable Bond Count:	3
Topological Polar Surface Area:	44.8 Å²
Undefined Atom Stereocenter Count:	3
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3