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
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 °C (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 |
