112176-17-7

Basic information

• Product Name: Benzene, 1-(2-cyclohexen-1-yl)-4-methyl-
• CAS NO: 112176-17-7
• Molecular Formula: C13H16
• Molecular Weight: 172.27
• Mol File: 112176-17-7.mol
• Article Data: 12

Chemical Properties

• CAS DataBase Reference: Benzene, 1-(2-cyclohexen-1-yl)-4-methyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1-(2-cyclohexen-1-yl)-4-methyl-(112176-17-7)
• EPA Substance Registry System: Benzene, 1-(2-cyclohexen-1-yl)-4-methyl-(112176-17-7)

Safety Data

• Hazardous Substances Data: 112176-17-7(Hazardous Substances Data)

Upstream product

• 624-31-7 4-tolyl iodide 
• 110-83-8 cyclohexene 
• 106-38-7 para-bromotoluene 
• 76644-52-5 rac-3-acetoxycyclohexene 
• 5720-05-8 4-methylphenylboronic acid 
• 1521-51-3 rac-3-bromocyclohexene 
• 108-94-1 cyclohexanone 
• 4294-57-9 para-methylphenylmagnesium bromide 
• 100-58-3 phenylmagnesium bromide 
• 1393561-08-4 6-(4-methylphenyl)-2,3,4,7-tetrahydrothiepine 
• 1393560-56-9 3-(4-methylphenyl)thiepan-3-ol 
• 1393561-44-8 3-(4-methylphenyl)thiepane 1,1-dioxide 
• 25057-68-5 thiepan-3-one 
• 19090-03-0 dihydro-2H-thiopyran-3(4H)-one 

Downstream Products

• 644-08-6 4-Methylbiphenyl 

Relevant articles and documents

Transition-metal-free one-pot synthesis of biaryls from grignard reagents and substituted cyclohexanones

A new strategy for the construction of biaryls by a transition-metal-free process is presented. A sequence of a Grignard reaction, dehydration, and oxidative aromatization affords the desired products in a one-pot fashion. Copyright

Iron phosphine catalyzed cross-coupling of tetraorganoborates and related group 13 nucleophiles with alkyl halides

Iron phosphine complexes prove to be good precatalysts for the cross-coupling of alkyl, benzyl, and allyl halides with not only aryl triorganoborate salts but also related aluminum-, gallium-, indium-, and thallium-based nucleophiles. Mechanistic studies revealed that while Fe(I) can be accessed on catalytically relevant time scales, lower average oxidation states are not formed fast enough to be relevant to catalysis. EPR spectroscopic studies reveal the presence of bis(diphosphine)iron(I) complexes in representative catalytic reactions and related processes with a range of group 13 nucleophiles. Isolated examples were studied by M?ssbauer spectroscopy and single-crystal X-ray structural analysis, while the electronic structure was probed by dispersion-corrected B3LYP DFT calculations. An EPR study on an iron system with a bulky diphosphine ligand revealed the presence of an S = 1/2 species consistent with the formation of a mono(diphosphine)iron(I) species with inequivalent phosphine donor environments. DFT analysis of model complexes allowed us to rule out a T-shaped Fe(I) structure, as this is predicted to be high spin.

Enantioselective synthesis of chiral sulfones by ir-catalyzed asymmetric hydrogenation: A facile approach to the preparation of chiral allylic and homoallylic compounds

A highly efficient and enantioselective Ir-catalyzed hydrogenation of unsaturated sulfones was developed. Chiral cyclic and acyclic sulfones were produced in excellent enantioselectivities (up to 98% ee). Coupled with the Ramberg-Baecklund rearrangement, this reaction offers a novel route to chiral allylic and homoallylic compounds in excellent enantioselectivities (up to 97% ee) and high yields (up to 94%).