Difluoromethyl 2-pyridyl sulfone - CAS 1219454-89-3

Catalog:	BB005302
Product Name:	Difluoromethyl 2-pyridyl sulfone
CAS:	1219454-89-3
Synonyms:	2-(difluoromethylsulfonyl)pyridine

Technical Data

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Computed Properties

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

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

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Related Functional Groups

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[4926-28-7]
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[2122800-15-9]
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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

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