Diethyl ethylmalonate

Base Information Edit

Chemical Name:Diethyl ethylmalonate
CAS No.:133-13-1
Deprecated CAS:93264-17-6,581796-72-7
Molecular Formula:C9H16O4
Molecular Weight:188.224
Hs Code.:29171990
European Community (EC) Number:205-093-3
NSC Number:8706
UNII:69G92OYR3M
DSSTox Substance ID:DTXSID7038739
Nikkaji Number:J38.404F
Mol file:133-13-1.mol

Synonyms:DIETHYL ETHYLMALONATE;133-13-1;Diethyl 2-ethylmalonate;Propanedioic acid, ethyl-, diethyl ester;diethyl 2-ethylpropanedioate;1,3-diethyl 2-ethylpropanedioate;Ethylmalonic acid diethyl ester;Diethyl ethylpropanedioate;Malonic acid, ethyl-, diethyl ester;Propanedioic acid, 2-ethyl-, 1,3-diethyl ester;UNII-69G92OYR3M;69G92OYR3M;NSC 8706;NSC-8706;EINECS 205-093-3;AI3-19481;diethyl-ethylmalonate;MFCD00009167;diethyl ethyl malonate;diethyl ethyl-malonate;DIETHYLETHYLMALONATE;Diethyl ethylmalonate, 99%;Ethylmalonic acid diethylester;SCHEMBL230068;DTXSID7038739;NSC8706;2-ethyl-malonic acid diethyl ester;DIETHYL .ALPHA.-ETHYLMALONATE;ethyl-propanedioic acid diethyl ester;STL183305;AKOS002710245;DS-9546;2-ETHYLMALONIC ACID DIETHYL ESTER;ETHYLPROPANEDIOIC ACID DIETHYL ESTER;CS-0075087;E0138;FT-0624783;EN300-52602;A806565;J-006315;J-520286;Q27264345;F0001-0438;Z756390274;1,1-PROPANEDICARBOXYLIC ACID,DIETHYL ESTER (MALONIC ACID,ETHYL,DIETHYL ESTER)

Suppliers and Price of Diethyl ethylmalonate

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Diethyl ethylmalonate
5g
$ 50.00

TCI Chemical
Diethyl Ethylmalonate >98.0%(GC)
25mL
$ 18.00

TCI Chemical
Diethyl Ethylmalonate >98.0%(GC)
500mL
$ 67.00

Sigma-Aldrich
Diethyl ethylmalonate for synthesis
250 mL
$ 56.42

Sigma-Aldrich
Diethyl ethylmalonate for synthesis. CAS 133-13-1, chemical formula C H CH(COOC H ) ., for synthesis
8009060250
$ 58.90

Sigma-Aldrich
Diethyl ethylmalonate 99%
100g
$ 35.70

Oakwood
Diethyl2-ethylmalonate
25g
$ 14.00

Medical Isotopes, Inc.
Diethyl ethylmalonate
250 g
$ 850.00

Matrix Scientific
1,3-Diethyl 2-ethylpropanedioate 95%+
1g
$ 101.00

Matrix Scientific
1,3-Diethyl 2-ethylpropanedioate 95%+
5g
$ 323.00

Total 101 raw suppliers

Chemical Property of Diethyl ethylmalonate Edit

Chemical Property:

Appearance/Colour:Clear, colorless liquid.
Vapor Pressure:0.18mmHg at 25°C
Melting Point:0 °C
Refractive Index:n20/D 1.416(lit.)
Boiling Point:211.7 °C at 760 mmHg
PKA:13.17±0.46(Predicted)
Flash Point:88.3 °C
PSA：52.60000
Density:1.02 g/cm³
LogP:1.13880
Storage Temp.:Store below +30°C.
Solubility.:2.87g/l
Water Solubility.:immiscible
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:188.10485899
Heavy Atom Count:13
Complexity:159

Purity/Quality:

99% ^*data from raw suppliers

Diethyl ethylmalonate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 24/25-36-26

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Other Classes -> Esters, Other
Canonical SMILES:CCC(C(=O)OCC)C(=O)OCC
Uses Diethyl Ethylmalonate is used in the synthesis of HIV-1 reverse transcriptase inhibitors. Also used in the preparation of Peloruside A, a novel antimitotic agent used as a potential anti-cancer agent.

Technology Process of Diethyl ethylmalonate

There total 63 articles about Diethyl ethylmalonate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%