Diethyl Methyl-d3-malonate

Base Information

Chemical Name:Diethyl Methyl-d3-malonate
CAS No.:54840-57-2
Molecular Formula:C8H11D3O4
Molecular Weight:0
Hs Code.:
DSSTox Substance ID:DTXSID60441354
Nikkaji Number:J1.211.045F
Wikidata:Q82258111
Mol file:54840-57-2.mol

Synonyms:Diethyl Methyl-d3-malonate;54840-57-2;diethyl 2-(trideuteriomethyl)propanedioate;SCHEMBL14133325;DTXSID60441354;AKOS030254436;CS-T-52810

Suppliers and Price of Diethyl Methyl-d3-malonate

Supply Marketing:

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

Usbiological
Diethyl Methyl-d3-malonate
50mg
$ 425.00

TRC
DiethylMethyl-d3-malonate
50mg
$ 130.00

Medical Isotopes, Inc.
DiethylMethyl-d3-malonate
250 mg
$ 1500.00

American Custom Chemicals Corporation
DIETHYL METHYL-D3-MALONATE 95.00%
500MG
$ 1732.50

American Custom Chemicals Corporation
DIETHYL METHYL-D3-MALONATE 95.00%
50MG
$ 721.88

Total 6 raw suppliers

Chemical Property of Diethyl Methyl-d3-malonate

Chemical Property:

Vapor Pressure:0.264mmHg at 25°C
Refractive Index:1.421
Boiling Point:198-1990C
Flash Point:76.667°C
PSA：52.60000
Density:1.055g/cm³
LogP:0.74870
Storage Temp.:Refrigerator, under inert atmosphere
Solubility.:Chloroform, Ethyl Acetate (Slightly)
XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:177.10803916
Heavy Atom Count:12
Complexity:146

Purity/Quality:

99%, ^*data from raw suppliers

Diethyl Methyl-d3-malonate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(C)C(=O)OCC
Isomeric SMILES:[2H]C([2H])([2H])C(C(=O)OCC)C(=O)OCC
Uses Diethyl Methyl-d3-malonate (cas# 54840-57-2) is a compound useful in organic synthesis.

Technology Process of Diethyl Methyl-d3-malonate

There total 6 articles about Diethyl Methyl-d3-malonate 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: 93.0%

: diethyl allylmethyl-d₃-malonate

: 54840-57-2
diethyl 2-[methyl-²H₃]methylmalonate

Guidance literature:: With titanium(II) diisopropoxide; isopropylmagnesium bromide; In diethyl ether; at -45 ℃; for 1h;
DOI:10.1002/(SICI)1099-1344(199911)42:11<1085::AID-JLCR264>3.0.CO;2-4

Reference yield: 87.0%

: 865-50-9
iodomethane-d3

: 105-53-3
diethyl malonate

: 54840-57-2
diethyl 2-[methyl-²H₃]methylmalonate

Guidance literature:: diethyl malonate; With sodium; In ethanol; at 0 ℃; for 0.5h;

iodomethane-d3; In ethanol; at 0 - 20 ℃; for 5h;

Reference yield:

: 865-50-9
iodomethane-d3

: 105-53-3
diethyl malonate

: 54840-57-2
diethyl 2-[methyl-²H₃]methylmalonate

: 14575-07-6
diethyl dimethylmalonate-d₆

Guidance literature:: diethyl malonate; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 0.5h;

iodomethane-d3; In tetrahydrofuran; for 2h; Title compound not separated from byproducts; Heating;
DOI:10.1002/jlcr.881