Diethylmalonic acid

Product Information

Molecular Formula:
(C2H5)2C(COOH)2
Molecular Weight:
160.168
Description
Diethylmalonic acid is an indispensable compound widely utilized in the biomedical sector. Its multifarious application encompasses drug synthesis, chiefly antiviral, antimalarial, and antimicrobial drugs. Remarkably, it assumes a pivotal function in combatting ailments of serious nature, such as Alzheimer's, Parkinson's, and cancer, as it effectively hampers precise biochemical pathways.
Synonyms
2,2-diethylpropanedioic acid; Propanedioic acid, diethyl-; 3,3-Pentanedicarboxylic acid; Malonic acid, diethyl-; 2,2-Diethylmalonic acid; diethylpropanedioic acid; Diethyl malonic acid; Diathylmalonsaure; 2,2-Diethylmalonicacid; Diethylmalonic acid, 98%; 2,2-Diethylmalonic acid
IUPAC Name
2,2-diethylpropanedioic acid
Canonical SMILES
CCC(CC)(C(=O)O)C(=O)O
InChI
InChI=1S/C7H12O4/c1-3-7(4-2,5(8)9)6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)
InChI Key
LTMRRSWNXVJMBA-UHFFFAOYSA-N
Melting Point
129-131 ℃ (lit.)
Flash Point
Not applicable
Purity
0.98

Computed Properties

XLogP3
1.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
160.07355886 g/mol
Monoisotopic Mass
160.07355886 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
153
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114103377-A High-barrier heat-sealable degradable film and preparation method thereof 2021-12-14
CN-113372691-A Resin composition, reinforcing liquid, reinforcing layer, and optical protective film 2021-06-23
JP-2022040643-A Inkjet recording device and maintenance method 2020-08-31
WO-2022042873-A1 Pharmaceutically acceptable lectins derived from plants, fungi and bacteria for the treatment of sars-cov-2 infections 2020-08-27
WO-2022008088-A1 Compositions with virucidal and/or antiviral activity 2020-07-09
WO-2022008093-A1 Glucocorticoid-sparing agent 2020-07-09
JP-2022001611-A Room temperature curable organopolysiloxane compositions and articles 2020-06-19
WO-2021249667-A1 Compound for the treatment of coronaviral infections 2020-06-10
JP-2021187820-A Hydrolyzable organosilane compound and its production method 2020-06-05
WO-2021245422-A2 Metal organic framework based photocatalytic system 2020-06-05

Literatures

PMID Publication Date Title Journal
22568038 2012-03-01 Synthesis and biological studies of triazolo-/thiadiazolo-benzoxazines Acta poloniae pharmaceutica
21967289 2011-10-01 Synthesis of novel 6'-spirocyclopropyl-5'-norcarbocyclic adenosine phosphonic Acid analogues as potent anti-hiv agents Nucleosides, nucleotides & nucleic acids
21796933 2011-07-01 Synthesis of new pyrimidine derivatives with evaluation of their anti-inflammatory and analgesic activities Acta poloniae pharmaceutica
21185109 2011-02-01 Synthesis and biological activity of pyrazolothienotetrahydroisoquinoline and [1,2,4]triazolo[3,4-a]thienotetrahydroisoquinoline derivatives European journal of medicinal chemistry
22076132 2011-01-01 Transport activity of the sodium bicarbonate cotransporter NBCe1 is enhanced by different isoforms of carbonic anhydrase PloS one
22355232 2011-01-01 Optimization of Benzoisothiazole dioxide inhibitory activity of the NS5B polymerase of HCV genotype 4 using ligand-steered homological modeling, reaction-driven scaffold-hopping and Enovo workflow Bioinformation
20688561 2010-10-15 Spectroscopic, solvent influence and thermal studies of ternary copper(II) complexes of diester and dinitrogen base ligands Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
20661812 2010-08-01 Synthesis and anti-HIV evaluation of new acyclic phosphonate nucleotide analogues and their bis(SATE) derivatives Nucleosides, nucleotides & nucleic acids
21579161 2010-04-17 (3aR*,7aS*)-1-(p-Tolyl-sulfon-yl)perhydro-indol-2-one Acta crystallographica. Section E, Structure reports online
21583261 2009-05-29 Diethyl 2-[(5-meth-oxy-2-methyl-1-phenyl-sulfonyl-1H-indol-3-yl)methyl-ene]malonate Acta crystallographica. Section E, Structure reports online
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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