Cyclopentanone Tosylhydrazone - CAS 17529-98-5

Name: Cyclopentanone Tosylhydrazone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB069052
Product Name:	Cyclopentanone Tosylhydrazone
CAS:	17529-98-5
Synonyms:	4-Methylbenzenesulfonic Acid 2-Cyclopentylidenehydrazide; 4-Methylbenzenesulfonic Acid Cyclopentylidenehydrazide; p-Toluenesulfonic Acid Cyclopentylidenehydrazide; Cyclopentanone p-Tolylsulfonylhydrazone; NSC 126954

Technical Data

IUPAC Name:	N-(cyclopentylideneamino)-4-methylbenzenesulfonamide
Description:	Cyclopentanone Tosylhydrazone is used as a reagent in the convenient synthesis of cycloalkenyl boronic acid pinacol esters which are useful synthetic intermediates that are usually made using more expensive methods like transition metal-catalyzed borylation of alkenyl halides or triflates.
Molecular Weight:	252.33
Molecular Formula:	C12H16N2O2S
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCC2
InChI:	InChI=1S/C12H16N2O2S/c1-10-6-8-12(9-7-10)17(15,16)14-13-11-4-2-3-5-11/h6-9,14H,2-5H2,1H3
InChI Key:	SFWNHVHJYZEPSM-UHFFFAOYSA-N
References:	Rauniyar, V., et al. Synthetic Commun., 38, 3984 (2008).

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
Signal Word:	Warning

Complexity:	368
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.09324893
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	252.09324893
Rotatable Bond Count:	3
Topological Polar Surface Area:	66.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9