1,4-Diethyl 2-methyl-3-oxobutanedioate
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1,4-Diethyl 2-methyl-3-oxobutanedioate
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CAS No:
759-65-9
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Formula:
C9H14O5
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Chemical Name:
1,4-Diethyl 2-methyl-3-oxobutanedioate
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Synonyms:
Butanedioic acid,2-methyl-3-oxo-,1,4-diethyl ester;Oxalacetic acid,methyl-,diethyl ester;Butanedioic acid,methyloxo-,diethyl ester;1,4-Diethyl 2-methyl-3-oxobutanedioate;Diethyl 3-methyl-2-oxosuccinate;Ethyl α-ethoxalylpropionate;Diethyl 2-methyl-3-oxosuccinate;Diethyl oxalopropionate;Diethyl 2-oxo-3-methylsuccinate;Diethyl 2-methyl-3-oxo-1,4-butanedioate;Diethyl methyloxalacetate;NSC 33946;2-Methyl-3-(oxo)succinic acid diethyl ester;Diethyl 2-methyl-3-oxobutanedioate
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CAS No:
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].
Diethyl 2-methyl-3-oxosuccinate is an alpha-ketoester, a beta-ketoester, an ethyl ester and a diester.
Safety Information
NONH for all modes of transport
3
23-24/25
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
1,4-Diethyl 2-methyl-3-oxobutanedioate Use and Manufacturing
By the reaction of ethyl propionate and diethyl oxalate.
Reactant involved in:• ;Synthesis of anticancer and antiviral agents1• ;Oxidation by organohypervalent iodine reagent2• ;Synthesis of monomers for preparation of functional polyesters3• ;Synthesis of calpain inhibitors4• ;Preparation of human A2A receptor antagonists5• ;Structural studies of dihydropteroate synthase inhibitors6
Butanedioic acid, 2-methyl-3-oxo-, 1,4-diethyl ester: ACTIVE
Computed Properties
Molecular Weight:202.20
XLogP3:1.3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:202.08412354
Monoisotopic Mass:202.08412354
Topological Polar Surface Area:69.7
Heavy Atom Count:14
Complexity:233
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,4-Diethyl 2-methyl-3-oxobutanedioate
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