Diethyl ketomalonate - CAS 609-09-6

Name: Diethyl ketomalonate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB030855
Product Name:	Diethyl ketomalonate
CAS:	609-09-6
Synonyms:	diethyl 2-oxopropanedioate

Technical Data

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Computed Properties

IUPAC Name:	diethyl 2-oxopropanedioate
Description:	Diethyl ketomalonate (CAS# 609-09-6) is a compound useful in organic synthesis.
Molecular Weight:	174.15
Molecular Formula:	C7H10O5
Canonical SMILES:	CCOC(=O)C(=O)C(=O)OCC
InChI:	InChI=1S/C7H10O5/c1-3-11-6(9)5(8)7(10)12-4-2/h3-4H2,1-2H3
InChI Key:	DBKKFIIYQGGHJO-UHFFFAOYSA-N
Boiling Point:	208-210 °C
Melting Point:	-70 °C
Purity:	97 %
Density:	1.142 g/cm³
Appearance:	Yellow to yellow-green liquid.
MDL:	MFCD00009121
LogP:	-0.31830

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate

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

Publication Number	Title	Priority Date
CN-111777603-A	Fluorescent probe capable of simultaneously detecting beta amyloid protein deposition plaque and peroxynitrite and preparation method and application thereof	20200615
CN-111777603-B	Fluorescent probe capable of simultaneously detecting beta amyloid protein deposition plaque and peroxynitrite and preparation method and application thereof	20200615
RU-2744429-C1	Anti-rna viral, including anti-coronavirus agent - substituted quinoxaline, pharmaceutical composition and applications	20200502
WO-2021183353-A1	Apparatus and methods for molecular diagnostics	20200309
CN-113121347-A	Acrylic ester compound for preparing spiro lactone, spiro lactone and preparation method thereof	20191231

PMID	Publication Date	Title	Journal
16545495	20060401	Synthesis, crystal structure and anticancer activity of novel derivatives of ethyl 1-(4-oxo-8-aryl-4,6,7,8-tetrahydroimidazo[2,1-c][1,2,4]triazin-3-yl)formate	European journal of medicinal chemistry
12423132	20021115	Thermal/hyperbaric heterocycloaddition of 1,4-dialkoxy-1,3-dienes: the de novo (E,Z) way to sugars	The Journal of organic chemistry
12123037	20020421	Efficient amination of sulfides with a ketomalonate-derived oxaziridine: application to [2,3]-sigmatropic rearrangements of allylic sulfimides	Chemical communications (Cambridge, England)
11925219	20020405	Cycloaddition reaction of 2-azadienes derived from beta-amino acids with electron-rich and electron-deficient alkenes and carbonyl compounds. Synthesis of pyridine and 1,3-oxazine derivatives	The Journal of organic chemistry
11841263	20020220	Reactions of zirconacyclopentadienes with C [double bond] ), C [double bond] N, and N [double bond] N moieties with electron-withdrawing groups: formation of six-membered heterocycles	Journal of the American Chemical Society

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.05282342
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	174.05282342
Rotatable Bond Count:	6
Topological Polar Surface Area:	69.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4