Diethyl dibromomalonate

Base Information

Chemical Name:Diethyl dibromomalonate
CAS No.:631-22-1
Molecular Formula:C7H10Br2O4
Molecular Weight:317.962
Hs Code.:29171900
European Community (EC) Number:211-151-9
NSC Number:6759
UNII:32T45AS5LZ
DSSTox Substance ID:DTXSID6060890
Nikkaji Number:J79.773A
Wikidata:Q81989218
Mol file:631-22-1.mol

Synonyms:Diethyl dibromomalonate;631-22-1;Diethyl 2,2-dibromomalonate;Ethyl dibromomalonate;Propanedioic acid, dibromo-, diethyl ester;diethyl 2,2-dibromopropanedioate;DIETHYLDIBROMOMALONATE;1,3-diethyl 2,2-dibromopropanedioate;Malonic acid, dibromo-, diethyl ester;C7H10Br2O4;AI3-01374;32T45AS5LZ;NSC 6759;NSC-6759;EINECS 211-151-9;MFCD00015154;Propanedioic acid, 2,2-dibromo-, 1,3-diethyl ester;UNII-32T45AS5LZ;Diethyl dibromomalonate, 97%;Diethyl 2,2-dibromomalonate #;SCHEMBL3344606;DTXSID6060890;Dibromomalonic acid diethyl ester;NSC6759;Dibromo malonic acid, diethyl ester;AKOS005206982;2,2-Dibromo-malonic acid diethyl ester;AS-59071;SY060371;CS-0151899;FT-0624674;EN300-8167167;A868241

Suppliers and Price of Diethyl dibromomalonate

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

SynQuest Laboratories
Diethyl dibromomalonate 97%
25 g
$ 45.00

Sigma-Aldrich
Diethyl dibromomalonate 97%
25ml
$ 88.90

Matrix Scientific
Diethyl 2,2-dibromomalonate 95+%
10g
$ 51.00

Matrix Scientific
Diethyl 2,2-dibromomalonate 95+%
100g
$ 252.00

Matrix Scientific
Diethyl 2,2-dibromomalonate 95+%
5g
$ 35.00

Crysdot
Diethyl2,2-dibromomalonate 95+%
500g
$ 374.00

American Custom Chemicals Corporation
DIETHYL DIBROMOMALONATE 95.00%
100G
$ 2406.05

American Custom Chemicals Corporation
DIETHYL DIBROMOMALONATE 95.00%
25G
$ 1065.70

Alfa Aesar
Diethyl dibromomalonate, 97%
25g
$ 44.40

Alfa Aesar
Diethyl dibromomalonate, 97%
5g
$ 18.60

Total 35 raw suppliers

Chemical Property of Diethyl dibromomalonate

Chemical Property:

Appearance/Colour:COLORLESS TO YELLOW LIQUID
Vapor Pressure:0.0126mmHg at 25°C
Refractive Index:n20/D 1.484(lit.)
Boiling Point:259.9 °C at 760 mmHg
Flash Point:111 °C
PSA：52.60000
Density:1.791 g/cm³
LogP:1.59870
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:317.89253
Heavy Atom Count:13
Complexity:183

Purity/Quality:

97% ^*data from raw suppliers

Diethyl dibromomalonate 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s): R34:Causes burns.;
Hazard Codes:R34:Causes burns.;
Statements: 34
Safety Statements: 20-26-36/37/39-45-60

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCOC(=O)C(C(=O)OCC)(Br)Br

Technology Process of Diethyl dibromomalonate

There total 13 articles about Diethyl dibromomalonate 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: 96.0%

: 105-53-3
diethyl malonate

: 631-22-1
diethyl dibromomalonate

Guidance literature:: With bromine; In dichloromethane; at 20 ℃; for 20h;
DOI:10.1021/acs.orglett.9b03848

Reference yield: 35.0%

: dicarbonyl(η5-cyclopentadienyl){η1-2-bis(ethoxycarbonyl)methyltetrahydropyran-trans-3-yl}iron(II)

: 7726-95-6
bromine

: 631-22-1
diethyl dibromomalonate

: 126246-61-5
2-bis(ethoxycarbonyl)methyl-5,6-dihydro-2H-pyran

Guidance literature:: In tetrahydrofuran; treating Fe-complex with Br2 at -78°C (mixture turning red); allowing to reach ambient temp.; removing solvent in vac.; suspending in ether, centrifusion, removing ether in vac.; chromy. under Ar (silica gel, 1:5-EtOAc/hexane);

Reference yield: 25.0%

: 685-87-0
Diethyl 2-bromomalonate

: 631-22-1
diethyl dibromomalonate

Guidance literature:: Diethyl 2-bromomalonate; With sodium hydride; In acetonitrile; mineral oil; at 5 - 6 ℃; for 2h; Inert atmosphere; Cooling with ice;

With perfluoroallylfluorosulphate; In N,N-dimethyl-formamide; acetonitrile; mineral oil; at -35 ℃; for 2h; Solvent; Temperature; Inert atmosphere;
DOI:10.1016/j.jfluchem.2021.109864