5-(Trifluoromethyl)dibenzothiophenium tetrafluoroborate - CAS 131880-16-5
Catalog: |
BB007508 |
Product Name: |
5-(Trifluoromethyl)dibenzothiophenium tetrafluoroborate |
CAS: |
131880-16-5 |
Synonyms: |
5-(trifluoromethyl)dibenzothiophen-5-ium;tetrafluoroborate |
IUPAC Name: | 5-(trifluoromethyl)dibenzothiophen-5-ium;tetrafluoroborate |
Description: | 5-(Trifluoromethyl)dibenzothiophenium tetrafluoroborate (CAS# 131880-16-5) is used to synthesize ortho-trifluoromethylated and ortho-(fluoro)alkylated pyridine derivatives. It is used as a CF3 source under visible light irradiation for the photoredox-catalyzed trifluoromethylation of electron rich alkene resulting in 1,3-bis(trifluoromethyl)-1-propenyl skeleton. |
Molecular Weight: | 340.07 |
Molecular Formula: | C13H8BF7S |
Canonical SMILES: | [B-](F)(F)(F)F.C1=CC=C2C(=C1)C3=CC=CC=C3[S+]2C(F)(F)F |
InChI: | InChI=1S/C13H8F3S.BF4/c14-13(15,16)17-11-7-3-1-5-9(11)10-6-2-4-8-12(10)17;2-1(3,4)5/h1-8H;/q+1;-1 |
InChI Key: | VTVISWLINKWMQZ-UHFFFAOYSA-N |
Melting Point: | 171-172 ℃ |
Purity: | 95 % |
Density: | g/cm3 |
Appearance: | White to yellow powder, crystals and/or chunks |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD01073545 |
LogP: | 5.52310 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111303089-A | Preparation method of α -halogenated trifluoromethyl substituted alkane | 20200310 |
WO-2021085540-A1 | Fluorine-containing pyrimidine compound and manufacturing method for same | 20191101 |
KR-20200133528-A | Pyrimido-pyrimidin derivatives and pharmaceutical composition for use in preventing or treating PI3 kinase related diseases | 20190520 |
WO-2020234756-A1 | Pyrido-pyrimidin derivatives and pharmaceutical composition, for use in preventing or treating pi3 kinase related diseases, comprising same as active ingredient | 20190520 |
CN-111825674-A | Pyrimido five-membered heterocyclic compounds and application thereof as mutant IDH2 inhibitor | 20190422 |
PMID | Publication Date | Title | Journal |
19675918 | 20090907 | Enantioselective electrophilic trifluoromethylation of beta-keto esters with Umemoto reagents induced by chiral nonracemic guanidines | Organic & biomolecular chemistry |
Complexity: | 286 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 340.0327987 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 340.0327987 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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