Trimethylsilyl 2,2-difluoro-2-(fluorosulfonyl)acetate - CAS 120801-75-4
Catalog: |
BB004979 |
Product Name: |
Trimethylsilyl 2,2-difluoro-2-(fluorosulfonyl)acetate |
CAS: |
120801-75-4 |
Synonyms: |
trimethylsilyl 2,2-difluoro-2-fluorosulfonylacetate |
IUPAC Name: | trimethylsilyl 2,2-difluoro-2-fluorosulfonylacetate |
Description: | Trimethylsilyl 2,2-difluoro-2-(fluorosulfonyl)acetate (CAS# 120801-75-4) is a reactant in the Ni-catalyzed difluorocyclopropanation of silyl dienol ethers prepared from alpha and beta unsaturated ketones. |
Molecular Weight: | 250.27 |
Molecular Formula: | C5H9F3O4SSi |
Canonical SMILES: | C[Si](C)(C)OC(=O)C(F)(F)S(=O)(=O)F |
InChI: | InChI=1S/C5H9F3O4SSi/c1-14(2,3)12-4(9)5(6,7)13(8,10)11/h1-3H3 |
InChI Key: | XHVSCKNABCCCAC-UHFFFAOYSA-N |
Boiling Point: | 156 °C |
Purity: | 95 % |
Density: | 1.27 g/cm3 |
MDL: | MFCD02093343 |
LogP: | 2.33740 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113501842-A | Preparation method of trimethylsilyl 2- (fluorosulfonyl) difluoroacetate | 20210817 |
WO-2021030670-A1 | Article including elastomeric core and vapor deposited fluoroelastomeric coating | 20190815 |
WO-2021026179-A1 | AGONISTS OF ROR GAMMAt | 20190806 |
CN-110176630-A | Electrolyte and the electrochemical appliance for using it | 20190531 |
CN-110176630-B | Electrolyte solution and electrochemical device using the same | 20190531 |
PMID | Publication Date | Title | Journal |
22612642 | 20120615 | Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate, a difluorocarbene reagent with reactivity comparable to that of trimethylsilyl 2,2-difluoro-2-(fluorosulfonyl)acetate (TFDA) | The Journal of organic chemistry |
17107069 | 20061123 | An unexpected reaction of trimethylsilyl fluorosulfonyldifluoroacetate (TFDA) with imidazoles. Formation of N-difluoromethylthioureas | Organic letters |
15176850 | 20040611 | Reactions of TFDA with ketones. synthesis of difluoromethyl 2,2-difluorocyclopropyl ethers | The Journal of organic chemistry |
Complexity: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.99429096 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.99429096 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 68.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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