Difluoromethyl 2-pyridyl sulfone - CAS 1219454-89-3
Catalog: |
BB005302 |
Product Name: |
Difluoromethyl 2-pyridyl sulfone |
CAS: |
1219454-89-3 |
Synonyms: |
2-(difluoromethylsulfonyl)pyridine |
IUPAC Name: | 2-(difluoromethylsulfonyl)pyridine |
Description: | Difluoromethyl 2-pyridyl sulfone (CAS# 1219454-89-3) is a new novel gem-difluoroolefination reagent for both aldehydes and ketones. |
Molecular Weight: | 193.17 |
Molecular Formula: | C6H5F2NO2S |
Canonical SMILES: | C1=CC=NC(=C1)S(=O)(=O)C(F)F |
InChI: | InChI=1S/C6H5F2NO2S/c7-6(8)12(10,11)5-3-1-2-4-9-5/h1-4,6H |
InChI Key: | YRQNSTAWTLXCEZ-UHFFFAOYSA-N |
Storage: | Keep in dark place, Inert atmosphere, Store in freezer, under -20 °C |
LogP: | 2.15870 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021026803-A1 | Piperidinyl-methyl-purineamines as nsd2 inhibitors and anti-cancer agents | 20190814 |
WO-2021028854-A1 | Piperidinyl-methyl-purineamines as nsd2 inhibitors and anti-cancer agents | 20190814 |
WO-2020121261-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
WO-2020121263-A1 | Triazolopyridin-3-ones or their salts and pharmaceutical compositions comprising the same | 20181214 |
US-2020223827-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
PMID | Publication Date | Title | Journal |
21370337 | 20110307 | From difluoromethyl 2-pyridyl sulfone to difluorinated sulfonates: a protocol for nucleophilic difluoro(sulfonato)methylation | Angewandte Chemie (International ed. in English) |
20210302 | 20100402 | Difluoromethyl 2-pyridyl sulfone: a new gem-difluoroolefination reagent for aldehydes and ketones | Organic letters |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.00090590 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.00090590 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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