1-(p-Tolylsulfonyl)pyrrole - CAS 17639-64-4

Catalog:	BB013218
Product Name:	1-(p-Tolylsulfonyl)pyrrole
CAS:	17639-64-4
Synonyms:	1-(4-methylphenyl)sulfonylpyrrole

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Computed Properties

IUPAC Name:	1-(4-methylphenyl)sulfonylpyrrole
Description:	1-(p-Tolylsulfonyl)pyrrole (CAS# 17639-64-4) is a compound useful in organic synthesis.
Molecular Weight:	221.28
Molecular Formula:	C11H11NO2S
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2
InChI:	InChI=1S/C11H11NO2S/c1-10-4-6-11(7-5-10)15(13,14)12-8-2-3-9-12/h2-9H,1H3
InChI Key:	OXWIEWFMRVJGNY-UHFFFAOYSA-N
Boiling Point:	377.3 °C at 760 mmHg
Density:	1.21 g/cm³
MDL:	MFCD00145014
LogP:	3.11430

Publication Number	Title	Priority Date
CN-111825683-A	Paramagnetic calix [4] porphyrin compound and preparation method thereof	20200605
WO-2021188762-A1	Boron-containing cyclic emissive compounds and color conversion film containing the same	20200320
WO-2021146380-A1	Boron-containing cyclic emissive compounds and color conversion film containing the same	20200117
WO-2021100699-A1	Black particles, black coating material, coating film, and black matrix for color filters	20191118
CN-112573978-A	High-efficiency halogenation synthesis method of aryl halide	20190930

PMID	Publication Date	Title	Journal
20554206	20100615	A novel and one-pot synthesis of new 1-tosyl pyrrol-2-one derivatives and analysis of carbonic anhydrase inhibitory potencies	Bioorganic & medicinal chemistry
19480445	20090703	Diastereoselective domino reactions of chiral 2-substituted 1-(2',2',3',3'-tetramethylcyclopropyl)-alkan-1-ols under Friedel-Crafts conditions	The Journal of organic chemistry
19143528	20090212	Novel heteroaromatic organofluorine inhibitors of fructose-1,6-bisphosphatase	Journal of medicinal chemistry
17194088	20070105	Direct cyanation of heteroaromatic compounds mediated by hypervalent iodine(III) reagents: In situ generation of PhI(III)-CN species and their cyano transfer	The Journal of organic chemistry
16468791	20060217	Electrolytic partial fluorination of organic compounds. 83. Anodic fluorination of N-substituted pyrroles and its synthetic applications to gem-difluorinated heterocyclic compounds	The Journal of organic chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	293
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.05104977
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	221.05104977
Rotatable Bond Count:	2
Topological Polar Surface Area:	47.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3