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1-Oxa-4-azaspiro[4.5]dec-3-en-2-one, 3-[(phenylmethyl)thio]- is a complex organic chemical compound with the molecular formula C16H17NO2S. It is a derivative of spiro[4.5]decanone, featuring a phenylmethylthio group attached to the 3-position. 1-Oxa-4-azaspiro[4.5]dec-3-en-2-one, 3-[(phenylmethyl)thio]- is characterized by its unique spirocyclic structure, which consists of a seven-membered ring containing one oxygen atom and one nitrogen atom, fused to a five-membered ring. The presence of the phenylmethylthio group introduces a sulfur atom and a benzyl group, which can influence the compound's reactivity and properties. This chemical is primarily of interest in the field of organic chemistry, potentially for its use in the synthesis of pharmaceuticals or other complex molecules.

85976-50-7

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85976-50-7 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 85976-50-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,5,9,7 and 6 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 85976-50:
(7*8)+(6*5)+(5*9)+(4*7)+(3*6)+(2*5)+(1*0)=187
187 % 10 = 7
So 85976-50-7 is a valid CAS Registry Number.

85976-50-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-benzylsulfanyl-1-oxa-4-azaspiro[4.5]dec-3-en-2-one

1.2 Other means of identification

Product number -
Other names 4'-(Benzylthio)spiro<cyclohexan-1,2'-<1,3>oxazol>-5'(2'H)-on

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:85976-50-7 SDS

85976-50-7Downstream Products

85976-50-7Relevant academic research and scientific papers

Synthese von 4-Benzylthio- und 4-(Arylthio)-1,3-oxazol-5(2H)-onen

Wipf, Peter,Prewo, Roland,Bieri, Jost H.,Heimgartner, Heinz,Nastopoulos, Vassilios,Germain, Gabriel

, p. 1380 - 1388 (2007/10/02)

Following a known procedure, 4-(benzylthio)-1,3-oxazol-5(2H)-one (4a) was synthesized starting from sodium cyanodithioformate (1) and cyclohexanone (Scheme 1).The structure of the intermediate 4-(benzylthio)-1,3-thiazol-5(2H)-one (3a) was established by X-ray crystallography.An alternative route was developed for the synthesis of 4-(arylthio)-1,3-oxazol-5(2H)-ones which are not accessible by the former reaction.Treatment of ethy cyanoformate (5) with a thiophenol in the presence of catalytic amounts of Et2NH and TiCl4, followed by addition of a ketone anf BF3*Et2O in a one-pot-reaction, gave 4f-i in low-toair yields (Scheme 3).Both synthetic pathways - complementary as for benzyl-S aryl-S derivatives seem to be limited with respect to variation of substituents of the ketone.

SYNTHESE VON 4-ARYLTHIO-3-OXAZOLIN-5-ONEN

Wipf, Peter,Heimgartner, Heinz

, p. 5127 - 5128 (2007/10/02)

4-Arylthio-3-oxazolin-5-ones have been synthesized in a 'one pot reaction' from ethyl cyanoformate, thiophenols and ketones in the presence of diethylamine and titanium tetrachloride.

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