795274-48-5

Basic information

• Product Name: 1-tert-butylsulfanyl-4-(2'-triisopropylsilylethynyl)-benzene
• Synonyms: 1-tert-butylsulfanyl-4-(2'-triisopropylsilylethynyl)-benzene
• CAS NO: 795274-48-5
• Molecular Weight: 346.652
• Mol File: 795274-48-5.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: 1-tert-butylsulfanyl-4-(2'-triisopropylsilylethynyl)-benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-tert-butylsulfanyl-4-(2'-triisopropylsilylethynyl)-benzene(795274-48-5)
• EPA Substance Registry System: 1-tert-butylsulfanyl-4-(2'-triisopropylsilylethynyl)-benzene(795274-48-5)

Safety Data

• Hazardous Substances Data: 795274-48-5(Hazardous Substances Data)

Upstream product

• 65688-19-9 1-(tert-butylsulfanyl)-4-iodobenzene 
• 89343-06-6 tris-iso-propylsilyl acetylene 
• 25752-90-3 tert-butyl 4-bromophenyl sulfide 

Downstream Products

• 894351-56-5 2,6-bis((4-(tert-butylthio)phenyl)ethynyl)anthracene-9,10-dione 
• 170159-24-7 acetylsulfanyl-4-(ethynyl)benzene 
• 135883-45-3 1-(tert-butylsulfanyl)-4-ethynylbenzene 
• 1364344-62-6 2,6-bis[(4-acetylthiophenyl)ethynyl]naphthalene 
• 1364344-60-4 1,4-bis[(4-acetylthiophenyl)ethynyl]naphthalene 
• 1364344-56-8 2,6-bis[(4-tert-butylthiophenyl)ethynyl]naphthalene 
• 1364344-54-6 1,4-bis[(4-tert-butylthiophenyl)ethynyl]naphthalene 
• 1364344-52-4 bis[4-((4-tert-butylthiophenyl)ethynyl)phenyl]acetylene 
• 1364344-50-2 bis[(4-tert-butylsulfanyl)phenyl]ethyne 
• 1310572-45-2 2,6-bis[(4-acetylthiophenyl)ethynyl]anthracene 
• 1234315-40-2 bis[4-((4-acetylthiophenyl)ethynyl)phenyl]acetylene 

Relevant articles and documents

Bismuth(III)-Promoted Acetylation of Thioethers into Thioacetates

The thioacetate group is extensively employed as an anchoring group for attachment of molecules onto gold surfaces or between electrodes in molecular electronics. On account of its ready hydrolysis, it is often incorporated in the last step of a synthetic

Correlations between molecular structure and single-junction conductance: A case study with oligo(phenylene-ethynylene)-type wires

The charge transport characteristics of 11 tailor-made dithiol-terminated oligo(phenylene-ethynylene) (OPE)-type molecules attached to two gold electrodes were studied at a solid/liquid interface in a combined approach using an STM break junction (STM-BJ) and a mechanically controlled break junction (MCBJ) setup. We designed and characterized 11 structurally distinct dithiol-terminated OPE-type molecules with varied length and HOMO/LUMO energy. Increase of the molecular length and/or of the HOMO-LUMO gap leads to a decrease of the single-junction conductance of the linearly conjugate acenes. The experimental data and simulations suggest a nonresonant tunneling mechanism involving hole transport through the molecular HOMO, with a decay constant β = 3.4 ± 0.1 nm-1 and a contact resistance Rc = 40 k per Au-S bond. The introduction of a cross-conjugated anthraquinone or a dihydroanthracene central unit results in lower conductance values, which are attributed to a destructive quantum interference phenomenon for the former and a broken π-conjugation for the latter. The statistical analysis of conductance-distance and current-voltage traces revealed details of evolution and breaking of molecular junctions. In particular, we explored the effect of stretching rate and junction stability. We compare our experimental results with DFT calculations using the ab initio code SMEAGOL and discuss how the structure of the molecular wires affects the conductance values.

Bromine catalyzed conversion of S-tert-butyl groups into versatile and, for self-assembly processes accessible, acetyl-protected thiols

The facile and efficient conversion of a tert-butyl protecting group to an acetyl protecting group for thiols by catalytic amounts of bromine in acetyl chloride and the presence of acetic acid has been developed. The fairly mild reaction conditions are of