343336-94-7

Basic information

• Product Name: 1-CHLORO-4-[(3-METHYL-2-BUTENYL)THIO] BENZENE
• Synonyms: 1-CHLORO-4-[(3-METHYL-2-BUTENYL)THIO] BENZENE;Benzene,1-chloro-4-[(3-methyl-2-butenyl)thio]-
• CAS NO: 343336-94-7
• Molecular Formula: C₁₁H₁₃ClS
• Molecular Weight: 212.73892
• Mol File: 343336-94-7.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 282.4 °C at 760 mmHg
• Flash Point: 120.9 °C
• Appearance: /
• Density: 1.11 g/cm³
• Vapor Pressure: 0.00574mmHg at 25°C
• Refractive Index: 1.568
• CAS DataBase Reference: 1-CHLORO-4-[(3-METHYL-2-BUTENYL)THIO] BENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-CHLORO-4-[(3-METHYL-2-BUTENYL)THIO] BENZENE(343336-94-7)
• EPA Substance Registry System: 1-CHLORO-4-[(3-METHYL-2-BUTENYL)THIO] BENZENE(343336-94-7)

Safety Data

• Hazardous Substances Data: 343336-94-7(Hazardous Substances Data)

Usage

General Description

1-CHLORO-4-[(3-METHYL-2-BUTENYL)THIO] BENZENE is a chemical compound that belongs to the class of chlorobenzenes. It is composed of a benzene ring with a chlorine atom attached at position 1, and a thioether functional group at position 4 with a 3-methyl-2-butenyl side chain. This chemical is commonly used as a building block in organic synthesis and can be found in various industrial and laboratory applications. It has potential uses in the production of pharmaceuticals, agrochemicals, and other specialty chemicals. However, it is important to handle this compound with care, as it may be hazardous to human health and the environment due to its toxic and potentially harmful effects.

InChI:InChI=1/C11H13ClS/c1-9(2)7-8-13-11-5-3-10(12)4-6-11/h3-7H,8H2,1-2H3

Upstream product

• 1173006-79-5 (S)-(α,α-dimethylallyl)-p-chlorothiophenol 
• 556-82-1 3-methyl-2-buten-1-ol 
• 88927-34-8 methyl (3-methylbut-2-en-1-yl) carbonate 
• 106-54-7 p-Chlorothiophenol 
• 108-98-5 thiophenol 
• 870-63-3 prenyl bromide 
• 18803-44-6 sodium p-chlorothiophenolate 
• 503-60-6 3,3-dimethyl-allyl chloride 

Downstream Products

• 129264-94-4 (2,2,2-trifluoroethyl) (4-chlorophenyl) sulfide 
• 1391759-13-9 ethyl 2-((4-chlorophenyl)thio)-3,3-dimethylpent-4-enoate 

Relevant articles and documents

Pd/BIPHEPHOS is an Efficient Catalyst for the Pd-Catalyzed S-Allylation of Thiols with High n-Selectivity

The Pd-catalyzed S-allylation of thiols with stable allylcarbonate and allylacetate reagents offers several advantages over established reactions for the formation of thioethers. We could demonstrate that Pd/BIPHEPHOS is a catalyst system which allows the transition metal-catalyzed S-allylation of thiols with excellent n-regioselectivity. Mechanistic studies showed that this reaction is reversible under the applied reaction conditions. The excellent functional group tolerance of this transformation was demonstrated with a broad variety of thiol nucleophiles (18 examples) and allyl substrates (9 examples), and could even be applied for the late-stage diversification of cephalosporins, which might find application in the synthesis of new antibiotics. (Figure presented.).

Catalytic activation of diazo compounds using electron-rich, defined iron complexes for carbene-transfer reactions

Carbene transfer: The electron-rich iron complex Bu4N[Fe(CO) 3(NO)] efficiently catalyzes different carbene-transfer reactions. Various diazo compounds can be used. The high stability of the employed iron complexes is demonstrated by the generation of the diazo reagent in situ and a sequential iron-catalyzed allylic sulfenylation/Doyle-Kirmse reaction. Copyright

Palladium-catalyzed insertion reactions of trimethylsilyldiazomethane

Palladium(II) salts catalyze the Kirmse reaction of allylsulfides with trimethylsilyldiazomethane (TMSD) to give homoallylsulfides. Similarly, TMSD can intercept ArPdX intermediates generated during Stille couplings to give benzhydryl derivatives. The yie