ChemicalBook--->CAS DataBase List--->98593-51-2

98593-51-2

98593-51-2 Structure

98593-51-2 Structure
IdentificationBack Directory
[Name]

4-(Methylsulphonyl)benzylamine hydrochloride
[CAS]

98593-51-2
[Synonyms]

4-(Methylsulphonyl)benzylaMine HCl
4-(methylthio)-1,2-dihydroquinazoline
4-METHYLSULFONYLBENZYLAMINE HYDROCHLORIDE
p-methylsulphonylbenzylaminehydrochloride
4-METHYLSULPHONYLBENZYLAMINE HYDROCHLORIDE
p-(methylsulfonyl)benzylaminehydrochloride
p-(methylsulfonyl)-benzylaminhydrochloride
4-Methanesulfonylbenzylamine hydrochloride
(4-(methylsulfonyl)phenyl)methanamine hydrochloride
4-(Aminomethyl)phenyl methyl sulphone hydrochloride
[Molecular Formula]

C8H12ClNO2S
[MDL Number]

MFCD00216491
[MOL File]

98593-51-2.mol
[Molecular Weight]

221.7
Chemical PropertiesBack Directory
[Melting point ]

272-274
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

solid
[Appearance]

White to off-white Solid
[InChI]

1S/C8H11NO2S.ClH/c1-12(10,11)8-4-2-7(6-9)3-5-8;/h2-5H,6,9H2,1H3;1H
[InChIKey]

NRXMOYDZMKXKMJ-UHFFFAOYSA-N
[SMILES]

Cl.CS(=O)(=O)c1ccc(CN)cc1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[Hazard Codes ]

C,Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

22-24/25
[WGK Germany ]

WGK 3
[Hazard Note ]

Corrosive
[HS Code ]

2921490090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Spectrum DetailBack Directory
[Spectrum Detail]

4-(Methylsulphonyl)benzylamine hydrochloride(98593-51-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

4-(METHYLSULFONYL)BENZONITRILE

22821-76-7

4-(Methylsulphonyl)benzylamine hydrochloride

98593-51-2

GENERAL METHODS: ReIO2(PPh3)2 (10 mol%) was dissolved in toluene (3 mL) and 4-methylsulfonylbenzonitrile (1 mmol) and PhSiH3 (300 mol%) were added sequentially. The reaction mixture was heated to reflux temperature and stirred under air atmosphere, and the reaction progress was monitored by TLC or 1H NMR. Upon completion of the reaction, the mixture was cooled to room temperature, activated carbon was added and stirred for 3 min, followed by filtration through an alumina/diatomaceous earth pad. An ether solution of HCl (1.5 mol) was added to the filtrate to induce precipitation of 4-(methylsulfonyl)benzylamine hydrochloride. The solid product was collected by filtration and washed with hexane to give pure 4-(methylsulfonyl)benzylamine hydrochloride, all of the products being known compounds.

[References]

[1] Tetrahedron, 2011, vol. 67, # 42, p. 8183 - 8186
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