Diethyl propionylmalonate

Base Information Edit

Chemical Name:Diethyl propionylmalonate
CAS No.:21633-77-2
Molecular Formula:C10H16O5
Molecular Weight:216.234
Hs Code.:2918300090
NSC Number:15401
UNII:PJ185I44ZB
DSSTox Substance ID:DTXSID50176027
Nikkaji Number:J41.612F
Wikidata:Q83046361
Mol file:21633-77-2.mol

Synonyms:Diethyl propionylmalonate;21633-77-2;1,3-diethyl 2-propanoylpropanedioate;diethyl 2-propanoylpropanedioate;Propionylmalonic acid diethyl ester;Diethyl propionyl malonate;MALONIC ACID, PROPIONYL-, DIETHYL ESTER;PJ185I44ZB;Diethyl .alpha.-propionylmalonate;Propanedioic acid, (1-oxopropyl)-, diethyl ester;NSC 15401;NSC-15401;BRN 1789421;AI3-19315;Propanedioic acid, 2-(1-oxopropyl)-, 1,3-diethyl ester;C-Propionylmalonic ester;diethyl 2-propionylmalonate;UNII-PJ185I44ZB;diethyl propanoylpropanedioate;diethyl (1-oxopropyl)malonate;SCHEMBL1363735;DTXSID50176027;1,3-diethyl2-propanoylpropanedioate;NSC15401;AKOS010952321;DIETHYL 2-(PROPANOYL)PROPANEDIOATE;LS-88832;CS-0260607;FT-0743869;EN300-75481;3-03-00-01378 (Beilstein Handbook Reference);Z839827750;2-(ETHOXYCARBONYL)-3-OXOPENTANOIC ACID ETHYL ESTER

Suppliers and Price of Diethyl propionylmalonate

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
1,3-diethyl2-propanoylpropanedioate
50mg
$ 65.00

Total 5 raw suppliers

Chemical Property of Diethyl propionylmalonate Edit

Chemical Property:

Vapor Pressure:0.0112mmHg at 25°C
Boiling Point:262°C at 760 mmHg
PKA:8.27±0.46(Predicted)
Flash Point:108.2°C
PSA：69.67000
Density:1.091g/cm³
LogP:0.70790
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:216.09977361
Heavy Atom Count:15
Complexity:228

Purity/Quality:

98% ^*data from raw suppliers

1,3-diethyl2-propanoylpropanedioate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC(=O)C(C(=O)OCC)C(=O)OCC

Technology Process of Diethyl propionylmalonate

There total 11 articles about Diethyl propionylmalonate 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: 88.0%

: 79-03-8
propionyl chloride

: 105-53-3
diethyl malonate

: 21633-77-2
diethyl 2-propionylmalonate

Guidance literature:: diethyl malonate; With ethanol; magnesium; In tetrachloromethane; toluene; for 1h; Heating;

propionyl chloride; In tetrachloromethane; toluene; at 20 ℃; for 1h;
DOI:10.1081/SCC-120015395

Reference yield:

: 13433-00-6
diethyl aminomalonate hydrochloride

: 21633-77-2
diethyl 2-propionylmalonate

Guidance literature:: With triethylamine; In tetrahydrofuran; hexane; ethyl acetate; propionic acid anhydride;

Reference yield:

: 570-08-1
diethyl acetylmalonate

: 21633-77-2
diethyl 2-propionylmalonate

Guidance literature:: Multi-step reaction with 2 steps

1.1: 24 percent / NH₂NH₂ / ethanol / 3 h / Heating

2.1: Mg; EtOH / CCl₄; toluene / 1 h / Heating

2.2: 88 percent / CCl₄; toluene / 1 h / 20 °C

With ethanol; magnesium; hydrazine; In tetrachloromethane; ethanol; toluene;
DOI:10.1081/SCC-120015395