56041-85-1

Basic information

• Product Name: Benzene, 1-ethynyl-4-(Methylthio)-
• Synonyms: Benzene, 1-ethynyl-4-(Methylthio)-
• CAS NO: 56041-85-1
• Molecular Formula: C₉H₈S
• Molecular Weight: 148.22482
• Mol File: 56041-85-1.mol
• Article Data: 29

Chemical Properties

• Melting Point: 17-18 °C
• Boiling Point: 74-76 °C(Press: 1 Torr)
• Appearance: /
• Density: 1.07±0.1 g/cm3(Predicted)
• CAS DataBase Reference: Benzene, 1-ethynyl-4-(Methylthio)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1-ethynyl-4-(Methylthio)-(56041-85-1)
• EPA Substance Registry System: Benzene, 1-ethynyl-4-(Methylthio)-(56041-85-1)

Safety Data

• Hazardous Substances Data: 56041-85-1(Hazardous Substances Data)

Usage

General Description

Benzene, 1-ethynyl-4-(methylthio)- is a chemical compound with the molecular formula C10H8S. It is a derivative of benzene with an ethynyl group and a methylthio group attached to the fourth carbon atom. Benzene, 1-ethynyl-4-(methylthio)- is primarily used in the synthesis of pharmaceuticals, agrochemicals, and dyes. It is also used as an intermediate in organic synthesis and can be found in some research and industrial applications. Benzene, 1-ethynyl-4-(methylthio)- is considered to have low acute toxicity, but its long-term effects and environmental impact are still being studied.

Upstream product

• 104-95-0 (4-bromophenyl)thioanisole 
• 1066-26-8 sodium acetylide 
• 1235968-75-8 triisopropyl((4-(methylthio)phenyl)ethynyl)silane 
• 1066-54-2 trimethylsilylacetylene 
• 584-08-7 potassium carbonate 
• 460-00-4 1-Bromo-4-fluorobenzene 
• 81227-89-6 2-[4-(methylmercapto)phenyl]-1-ethanol 
• 106-53-6 para-bromobenzenethiol 
• 90965-06-3 dimethyl 1-(1-diazo-2-oxopropyl)phosphonate 
• 3446-89-7 4-(Methylthio)benzaldehyde 
• 624-38-4 para-diiodobenzene 
• 35371-03-0 4-iodothioanisole 
• 134317-21-8 1-methylthio-4-[2-(trimethylsilyl)ethynyl]benzene 
• 124153-81-7 2-methyl-4-[4-(methylsulfanyl)phenyl]-3-butyn-2-ol 

Downstream Products

• 34052-44-3 (4-(bromoethynyl)phenyl)-(methyl)sulfane 
• 504422-10-0 [2-(4-methylsulfanyl-phenyl)-benzofuran-5-yl]-carbamic acid tert-butyl ester 
• 590422-98-3 1-[3-(Diphenyl-phosphinoylmethyl)-but-3-en-1-ynyl]-4-methylsulfanyl-benzene 
• 340771-31-5 1‐ethynyl‐4‐(methylsulfonyl)benzene 
• 742699-26-9 3-(4-methylsulfanylphenyl)-1-(4-fluorophenyl)prop-2-yn-1-ol 
• 742699-24-7 3-(4-methylsulfanylphenyl)-1-(4-methoxyphenyl)prop-2-yn-1-ol 
• 851130-22-8 5'-bromo-5-(4-methylsulfanyl-phenylethynyl)-[2,2']bipyridinyl 
• 882304-01-0 3-(4-methylsulfanylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol 
• 882304-26-9 3-(4-methylsulfanylphenyl)-1-(4-methoxynaphthalen-1-yl)prop-2-yn-1-ol 
• 1026900-91-3 3-(4-methylsulfanylphenyl)-1-(4-isopropylphenyl)prop-2-yn-1-ol 
• 742699-36-1 3-(4-methylsulfanylphenyl)-1-(4-ethylphenyl)prop-2-yn-1-one 
• 742699-39-4 3-(4-methylsulfanylphenyl)-1-(4-ethoxyphenyl)prop-2-yn-1-one 
• 742699-85-0 3-(4-methanesulfonylphenyl)-1-(4-methylsulfanylphenyl)prop-2-yn-1-ol 
• 742699-86-1 3-(4-methanesulfonylphenyl)-1-(4-methylsulfanylphenyl)prop-2-yn-1-one 

Relevant articles and documents

Single-molecule conductance of dibenzopentalenes: antiaromaticity and quantum interference

The effects of antiaromaticity and destructive quantum interference (DQI) are investigated on the charge transport through dibenzo-[a,e]pentalene (DBP). 5,10-Connectivity gives high single-molecule conductance whereas 2,7 gives low conductance due to DQI. Comparison of the 5,10-DBP with phenyl and anthracene analogues yields the trend GDBP ≈ GAnth > GPh, despite the aromatic anthracene having a larger HOMO-LUMO gap than 5,10-DBP. This is explained by unfavourable level alignment for 5,10-DBP. This journal is

Invisible Silver Guests Boost Order in a Framework That Cyclizes and Deposits Ag3Sb Nanodots

The infusion of metal guests into (i.e., metalating) the porous medium of metal-organic frameworks (MOFs) is a topical approach to wide-ranging functionalization purposes. We report the notable interactions of AgSbF6 guests with the designer MOF host ZrL1 [Zr6O4(OH)7(L1)4.5(H2O)4]. (1) The heavy-atom guests of AgSbF6 induce order in the MOF host to allow the movable alkyne side arm to be fully located by X-ray diffraction, but they themselves curiously remain highly disordered and absent in the strucutral model. The enhanced order of the framework can be generally ascribed to interaction of the silver guests with the host alkyne and thioether functions, while the invisible heavy-atom guest represents a new phenomenon in the metalation of open framework materials. (2) The AgSbF6 guests also participate in the thermocyclization of the vicinal alkyne units of the L1 linker (at 450 °C) and form the rare nanoparticle of Ag3Sb supported on the concomitantly formed nanographene network. The resulted composite exhibits high electrical conductivity (1.0 S/cm) as well as useful, mitigated catalytic activity for selectively converting nitroarenes into the industrially important azo compounds, i.e., without overshooting to form the amine side products. The heterogeneous/cyclable catalysis entails only the cheap reducing reagents of NaBH4, ethanol, and water, with yields being generally close to 90%.

Photocatalyzed E→Z Contra-thermodynamic Isomerization of Vinyl Boronates with Binaphthol

The photocatalytic contra-thermodynamic E→Z isomerization of vinyl boronates by using a binaphthol catalyst is disclosed. The reaction, based on the transient formation of a suitable chromophore with a BINOL derivative as the catalyst, allowed geometrical isomerization in good-to-excellent Z/E ratio and excellent-to-quantitative yields. The mechanism of this E→Z contra-thermodynamic isomerization was studied, and the formation of a transient chromophore species is suggested.