Lot numbers can be found on the outside label of a product:
Dimethyl difluoromalonate
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CAS No. 379-95-3
- Cat. No. CS-0121280
- Purity≥97%
- MDL No.MFCD00516931
*For research and further manufacturing use only, not for direct human use.
Structure of 379-95-3
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General Information
- CAS No. 379-95-3
- Cat. No. CS-0121280
- Purity ≥97%
- MDL No. MFCD00516931
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₅H₆F₂O₄
- Molecular Weight 168.10
- Synonym(s) Propanedioic acid, 2,2-difluoro-, 1,3-diMethyl ester
- SMILES O=C(OC)C(F)(F)C(OC)=O
Description
Dimethyl difluoromalonate is a highly reactive fluorinated diester featuring two geminal fluorine atoms on a malonate backbone. This electron-deficient structure enables efficient Michael additions and nucleophilic substitutions under mild conditions, serving as a key building block in synthetic organic chemistry for introducing fluorinated motifs with high regiocontrol.
Application
Dimethyl difluoromalonate serves as a versatile fluorinated building block in synthetic organic chemistry, enabling the efficient introduction of difluoromethylene units into target molecules. Its stabilized α,α-difluoro ester functionality facilitates nucleophilic addition and Michael-type reactions with high chemoselectivity. The compound exhibits robust bench stability and compatibility with common functional groups, simplifying purification and scale-up. It functions effectively in the synthesis of fluorinated heterocycles and carbocyclic scaffolds relevant to medicinal chemistry and agrochemical development.
Synthesis
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Route1
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In-stock
108-59-8 - ~78%
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In-stock
379-95-3
References
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Xiao, Ji-Chang; Shreeve, Jean'ne M. Journal of Fluorine Chemistry, 2005 , vol. 126, # 4 p. 475 - 478
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Route2
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431-47-0 - ~%
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In-stock
379-95-3
References
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E. I. DuPont de Nemours and Company Patent: US4316986 A1, 1982 ;
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Route3
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186581-53-3
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1514-85-8 - ~%
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In-stock
379-95-3
References
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Henne; de Witt Journal of the American Chemical Society, 1948 , vol. 70, p. 1549
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS02,GHS07
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Signal Word : Danger
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UN#: 3272
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Class : 3
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Packing Group : Ⅲ
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Hazard Statements : H226-H315-H319-H335
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Precautionary Statements : P241-P242-P243-P261-P264-P271-P280
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Quality Control
Computational Chemistry Data
- TPSA 52.6
- LogP -0.0323
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 2
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