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Diethyl oxalpropionate

CAT: 0804-HY-128720-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-128720-01Size:1 g
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Description
Diethyl oxalpropionate is an intermediate for poly ((R, S) -3,3-dimethylmalic acid) (PDMMLA) derivative synthesis. PDMMLA derivative can be used in synthesis of nanoparticles and study of warfarin encapsulation and controlled release[1].
CAS Number
759-65-9
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/diethyl-oxalpropionate.html
Purity
95.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CCOC(C(C(C)C(OCC)=O)=O)=O
Molecular Formula
C9H14O5
Molecular Weight
202.20
Precautions
H302, H315, H319, H335
References & Citations
[1]Inès Msolli, et al. Synthesis of nanoparticles based on PDMMLA derivative copolymers and study of warfarin encapsulation and controlled release. RSC Advances. Issue 11, 2017.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Butanedioic acid, 2-methyl-3-oxo-, 1,4-diethyl ester

Diethyl 2-methyl-3-oxosuccinate is an ethyl ester, a diester, an alpha-ketoester and a beta-ketoester.

CAS Number759-65-9
PubChem CID97750
IUPAC Namediethyl 2-methyl-3-oxobutanedioate
Molecular FormulaC9H14O5
Molecular Weight202.20
XLogP1.3
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count14
Formal Charge0
Complexity233
SMILES
CCOC(=O)C(C)C(=O)C(=O)OCC
InChI
InChI=1S/C9H14O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6H,4-5H2,1-3H3
InChIKey
OQOCQBJWOCRPQY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butanedioic acid, 2-methyl-3-oxo-, 1,4-diethyl ester
CAS: 759-65-9
CID: 97750
Formula: C9H14O5
MW: 202.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.20
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass202.08412354
Monoisotopic Mass202.08412354
Topological Polar Surface Area69.7 Ų
Heavy Atom Count14
Formal Charge0
Complexity233
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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