112545-94-5

Basic information

• Product Name: Benzene, 1-chloro-4-(1-hexynyl)-
• CAS NO: 112545-94-5
• Molecular Formula: C12H13Cl
• Molecular Weight: 192.688
• Mol File: 112545-94-5.mol
• Article Data: 30

Chemical Properties

• CAS DataBase Reference: Benzene, 1-chloro-4-(1-hexynyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1-chloro-4-(1-hexynyl)-(112545-94-5)
• EPA Substance Registry System: Benzene, 1-chloro-4-(1-hexynyl)-(112545-94-5)

Safety Data

• Hazardous Substances Data: 112545-94-5(Hazardous Substances Data)

Upstream product

• 41923-50-6 bis(4‐chlorophenyl)tellane 
• 65960-05-6 1-hexynylzinc chloride 
• 693-02-7 hex-1-yne 
• 637-87-6 1-Chloro-4-iodobenzene 
• 133381-92-7 hexynylzinc bromide 
• 35864-20-1 1-hexynyltributyltin 
• 106-39-8 bromochlorobenzene 
• 873-73-4 4-n-chlorophenylacetylene 
• 42930-39-2 n-butylzinc chloride 
• 623-03-0 4-Cyanochlorobenzene 
• 112529-05-2 1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoro-ethoxy)-ethanesulfonic acid 4-chloro-phenyl ester 

Downstream Products

• 91561-28-3 1-(4-chlorophenyl)-3-pentylurea 

Relevant articles and documents

A highly efficient and recyclable Pd(PPh3)4/PEG-400 system for Stille cross-coupling reactions of organostannanes with aryl bromides

Pd(PPh3)4 in PEG-400 is shown to be a highly efficient catalyst for the Stille cross-coupling reactions of various organotin compounds with aryl bromides. The reaction could be conducted at 80 °C using NaOAc as base, yielding a variety of biaryls, alkynes and alkenes in good to excellent yields. The isolation of the products was readily performed by extraction with petroleum ether and the Pd(PPh3)4/PEG-400 system could be easily recycled and reused five times without any significant loss of activity.

A facile synthesis of PdCo bimetallic hollow nanospheres and their application to Sonogashira reaction in aqueous media

PdCo bimetallic hollow nanospheres with a diameter of about 80 nm were for the first time synthesized in polyethylene glycol solution. This new Pd-containing bimetallic hollow nanostructure was successfully applied to catalysis of the Sonogashira reaction

Palladium-catalyzed aerobic oxidative cross-coupling reactions of terminal alkynes with alkylzinc reagents

Chemical Equation Represented With air as the oxidant, terminal alkynes can be directly cross-coupled with alkylzinc reagents in the presence of a Pd catalyst at room temperature. CO was found to be critical in gaining high chemical yields and selectivities. A wide range of alkynes and alkylzinc reagents were tested, and good to excellent yields were obtained. Copyright

Copper- and solvent-free Sonogashira coupling reactions of aryl halides with terminal alkynes catalyzed by 1-phenyl-1,2-propanedione-2-oxime thiosemi-carbazone-functionalized polystyrene resin supported Pd(II) complex under aerobic conditions

A polystyrene-supported palladium(II) 1-phenyl-1,2-propanedione-2-oxime thiosemi-carbazone (PPDOT) complex is found to be a highly active catalyst for the Sonogashira coupling reactions of aryl halides with terminal alkynes. The reactions can be performed under copper- and solvent-free conditions in an air atmosphere. The palladium catalyst is easily separated, and can be reused for several times without a significant loss in its catalytic activity.

A novel 1,2,4-triazine-functionalized polystyrene resin-supported Pd(II) complex: A copper- and solvent-free highly efficient catalyst for Sonogashira coupling reactions

A polystyrene-supported triazine palladium complex was prepared and characterized. The catalyst exhibits excellent catalytic activity and stability for the Sonogashira coupling reaction under ambient conditions. Various aryl halides were coupled with a number of terminal alkynes under air in the presence of 0.1 mol% of the catalyst to afford the corresponding coupled products in high yields. Furthermore, the heterogeneous catalyst can be readily recovered by simple filtration and reused for several times without a significant loss in its activity.

C-H alkenylation/cyclization and sulfamidation of 2-phenylisatogens using: N -oxide as a directing group

The first example of transition-metal-catalyzed C-H activations of 2-phenylisatogens with alkynes and sulfonyl azides has been developed using N-oxide as the directing group. Ru(ii)-Catalyzed C-H alkenylation/cyclization and Ir(iii)-catalyzed direct C-H sulfamidation proceeded with good yields and excellent functional group tolerance. Importantly, these two transformations provided straightforward routes for the synthesis of indol-3-one derivatives and sulfamidated 2-phenylisatogens respectively, which might be of considerable bioactivities.