13307-61-4

Basic information

• Product Name: isobutylthiobenzene
• Synonyms: isobutylthiobenzene;[(2-Methylpropyl)thio]benzene;Isobutylphenyl sulfide;Einecs 236-334-0
• CAS NO: 13307-61-4
• Molecular Formula: C₁₀H₁₄S
• Molecular Weight: 166.28316
• EINECS: 236-334-0
• Mol File: 13307-61-4.mol
• Article Data: 25

Chemical Properties

• Boiling Point: 235.3°C at 760 mmHg
• Flash Point: 94.6°C
• Appearance: /
• Density: 0.97g/cm³
• Vapor Pressure: 0.0771mmHg at 25°C
• Refractive Index: 1.537
• CAS DataBase Reference: isobutylthiobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: isobutylthiobenzene(13307-61-4)
• EPA Substance Registry System: isobutylthiobenzene(13307-61-4)

Safety Data

• Hazardous Substances Data: 13307-61-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H14S/c1-9(2)8-11-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

Upstream product

• 108-98-5 thiophenol 
• 115-11-7 isobutene 
• 927-83-3 di-t-butyldiazene 
• 807329-97-1 TurboGrignard 
• 1193-82-4 racemic methyl phenyl sulfoxide 
• 78-77-3 Isobutyl bromide 
• 882-33-7 diphenyldisulfane 
• 1068-55-9 isopropylmagnesium chloride 
• 100-68-5 methyl-phenyl-thioether 
• 462-06-6 fluorobenzene 
• 513-44-0 2-methylpropanethiol-1 
• 108-90-7 chlorobenzene 
• 108-86-1 bromobenzene 
• 22456-89-9 isobutyl phenyl sulfoxide 

Downstream Products

• 34009-07-9 isobutyl phenyl sulfone 
• 51436-25-0 dichlorobis (isobutyl phenyl sulfide) palladium (II) 
• 56056-68-9 <2-(4-Isobutylthiophenylthio)phenyl>acetonitril 
• 56056-74-7 (2(4-Isobutylthiophenylthio)phenyl)essigsaeure 
• 50900-48-6 2(4-Isobutylthiophenylthio)benzoesaeure 
• 56056-62-3 2-(4-Isopropyllthiophenylthio)benzylalkohol 
• 56056-66-7 2-(4-Isobutylthiophenylthio)benzylchlorid 
• 15560-18-6 (4-Isobutylsulfanyl-phenyl)-acetic acid ethyl ester 
• 15561-03-2 N-Hydroxy-2-(4-isobutylsulfanyl-phenyl)-acetamide 
• 3112-85-4 methylphenylsulfonate 
• 72653-51-1 2-(1-phenylthio-2-methylpropyl)cyclohexanone 
• 98711-79-6 2-methyl-6-(p-tolyl)-3-phenylsulphinylheptan-4-one 
• 115120-17-7 Thioacetic acid S-(1-benzenesulfonyl-2-methyl-propyl) ester 
• 115120-14-4 Thioacetic acid S-(2-methyl-1-phenylsulfanyl-propyl) ester 

Relevant articles and documents

Computational and Experimental Study of Turbo-Organomagnesium Amide Reagents: Cubane Aggregates as Reactive Intermediates in Pummerer Coupling

The dynamic equilibria of organomagnesium reagents are known to be very complex, and the relative reactivity of their components is poorly understood. Herein, a combination of DFT calculations and kinetic experiments is employed to investigate the detailed reaction mechanism of the Pummerer coupling between sulfoxides and turbo-organomagnesium amides. Among the various aggregates studied, unprecedented heterometallic open cubane structures are demonstrated to yield favorable barriers through a concerted anion-anion coupling/ S?O cleavage step. Beyond a structural curiosity, these results introduce open cubane organometallics as key reactive intermediates in turbo-organomagnesium amide mixtures.

C[sbnd]S cross-coupling catalyzed by a series of easily accessible, well defined Ni(II) complexes of the type [(NHC)Ni(Cp)(Br)]

The synthesis, characterization and catalytic evaluation of a series of NHC-Ni(II) complexes 1-Ni (-Me), 2-Ni (-nBu) and 3-Ni (-Bn) bearing a phthalimide fragment and a cyclopentadienyl (Cp) ligand is reported. The complexes were evaluated in C

Copper(I) selenophene-2-carboxylate (CuSC) promoted C–S cross-coupling reaction of thiols with aryl iodides

We reported the synthesis of copper (I)-selenophene-2-carboxylate (CuSC) and application as new catalyst in the cross-coupling reactions of thiols with aryl iodide to afford the corresponding unsymmetrical thioethers. The optimized reaction conditions were applied to thiols and aryl iodides having a wide range of functional groups, including electron rich and electron poor substrates. The chemoselectivity of the reaction with 4-iodobromobenzene and 2-aminothiophenol derivatives was briefly examined through the competitive iodine versus bromine and thiol versus nitrogen cross-coupling.