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Dimethyl fluoromalonate

Dimethyl fluoromalonate

CAS No. [344-14-9]

MSDS Dimethyl fluoromalonate MSDS

Specification Dimethyl fluoromalonate COA

Other names

2-fluoro-malonic acid dimethyl easter; 2-fluoro-4-methoxyacetoacetic acid methyl ester; Butyric acid, 2-fluoro-3-oxo-4-methoxy-, methyl ester; Dimethyl 2-fluoromalonate; Methyl 2-fluoro-4-methoxyacetoacetate; Fluoro-malonicaciddimethylester

Molecular formulaC5H7FO4

Molecular weight150.1

Specification Assay98%(Min,GC)

Moisture0.5%(Max)

Appearance/colorColorless to pale yellow liquid or solid

Package200kg/drum

Production scale300 tons per year

Details:

Boiling point: 76 °C
Refractive index: 1.4032
Flashing point: 111-112°C/45mm
BRN: 1768414
InChI=1S/C5H7FO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3
InChI Key: ZVXHZSXYHFBIEW-UHFFFAOYSA-N
XLogP3: 0.6
Hydrogen Bond Donor Count : 0
Hydrogen Bond Acceptor Count: 5
Rotatable Bond Count: 4
Exact Mass: 150.032837 g/mol
Monoisotopic Mass : 150.032837 g/mol
Topological Polar Surface Area: 52.6 A^2
Heavy Atom Count: 10
Formal Charge: 0
Complexity: 129
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1

What is Dimethyl fluoromalonate?

Dimethyl fluoromalonate, CAS number 344-14-9, is an organic intermediate widely used in the fields of pharmaceuticals, agricultural chemicals, materials, dyestuff, industrial additives, etc. It is also known as 2-fluoro-malonic acid dimethyl easter; 2-fluoro-4-methoxyacetoacetic acid methyl ester; Butyric acid, 2-fluoro-3-oxo-4-methoxy-, methyl ester; Dimethyl 2-fluoromalonate; Methyl 2-fluoro-4-methoxyacetoacetate; Fluoro-malonicaciddimethylester, etc.

Key applications of Dimethyl fluoromalonate

The already known key applications of Dimethyl fluoromalonate include: used as pharmaceutical intermediate, in synthesizing fungicides, special materials, dyestuff, enzyme inhibitors, fluoride-containing amino acids, fluoride-containing Chalcone, sedative, etc. The research and industrialization of Dimethyl fluoromalonate is still at the beginning stage, and more applications will be explored in the future.

Dimethyl fluoromalonate as pharmaceutical intermediate

Dimethyl fluoromalonate has been shown to be a valuable intermediate in the synthesis of alpha-fluoroalkanoic acids, including y-fluoroglutamic acid. It is also an intermediate for 5-Fluoropyrimidine (CAS 675-21-8) compounds, which shows good bioactivities for anti-cancer, antibacterial effects.

Dimethyl fluoromalonate used in agricultural chemical industry

Dimethyl fluoromalonate is an important intermediate for the synthesis of environment-friendly fungicide Fluoxastrobin developed by Bayer CropScience in 2005. Fluoxastrobin, commonly used in Fandango, Fortix, Scenic, DISARM, EVITO, and HEC 480 SC (trade names), is a new strobilurin fungicide active ingredient for the control of fungal diseases such as early blight, late blight, leaf spots, leaf rust, and Rhizoctonia solani.

Dimethyl fluoromalonate for special materials

New functional fluorinated materials are rapidly emerging to meet the demanding requirements of advanced applications in fields as diverse as sensing, catalysis and environmental protection due to its excellent prosperities such as chemical resistance, heat endurance, dielectricity, noninflammability, non-stick performance and wear-resistance. AS per Journal of Materials Chemistry, fluororesin, fluoroelastomers, and fluorosilicone (FRS) are very popular fluoride-containing materials widely used in the fields of photoelectrons, fiber optic, etc. Dimethyl fluoromalonate can be used as the starting material for many of these specialty materials.

Dimethyl fluoromalonate in synthesizing 4,5,6-Trifluoropyrimidine and dyestuff

More information is to be updated for the mechanism of action of Dimethyl fluoromalonate for the preparation of 4,5,6-Trifluoropyrimidine (CAS 17573-78-3). 4,5,6-Trifluoropyrimidine is an important pesticide intermediate and it is also applied as an intermediate dye industry.

Dimethyl fluoromalonate in preparing enzyme inhibitors

According to Wikipedia, fluoride salts are commonly used in biological assay processing to inhibit the activity of phosphatases, such as serine/threoninephosphatases. Fluoride mimics the nucleophilic hydroxide ion in these enzymes' active sites.Beryllium fluoride and aluminium fluoride are also used as phosphatase inhibitors, since these compounds are structural mimics of the phosphate group and can act as analogues of the transition state of the reaction. Dimethyl fluoromalonate can be used to various synthesize enzyme inhibitors.

Dimethyl fluoromalonate can also be used to prepare fluoride-containing amino acids, fluoride-containing Chalcone, fluorotetrahydroquinolines, and sedative areas.

Banff Green Technoligies, Inc.'s advantages:

Environmental friendly and risk free


Banff Green Technoligies, Inc.'s novel manufacturing process is much more environmental friendly than the traditional process. The traditional process emits HF which is extremely toxic and corrosive and a mixture of methylbenzene and triethylamine which are also toxic and difficult to contain. In contrast, Banff Green Technoligies, Inc.'s process does not involve any of these materials. Thus, Banff Green Technoligies, Inc.'s wastes can be easily treated and reach the emission standard.

Higher purity


Banff Green Technoligies, Inc.'s Dimethyl fluoromalonate can reach as high as 99% purity (by GC), and is the highest assay that is commercially available. The common purity of Dimethyl fluoromalonate on the market is about 90% and it is difficult to further purify.

Bulk stock


As Dimethyl fluoromalonate is one of Banff Green Technoligies, Inc.’s most important products, a large stock is available all year round.

If you need quotation or price for Dimethyl fluoromalonate, please kindly send inquiry to us. Information as MSDS, COA, GC and NMR spectrum are all available upon your request.

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