42049-53-6

Basic information

• Product Name: Benzene, (4-methyl-1-pentynyl)-
• CAS NO: 42049-53-6
• Molecular Formula: C12H14
• Molecular Weight: 158.243
• Mol File: 42049-53-6.mol
• Article Data: 10

Chemical Properties

• CAS DataBase Reference: Benzene, (4-methyl-1-pentynyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, (4-methyl-1-pentynyl)-(42049-53-6)
• EPA Substance Registry System: Benzene, (4-methyl-1-pentynyl)-(42049-53-6)

Safety Data

• Hazardous Substances Data: 42049-53-6(Hazardous Substances Data)

Upstream product

• 78-77-3 Isobutyl bromide 
• 1004-22-4 (phenylethynyl)sodium 
• 1116-39-8 triisobutylborane 
• 536-74-3 phenylacetylene 
• 513-38-2 Isobutyl iodide 
• 591-50-4 iodobenzene 
• 7154-75-8 4-methylpentyne 
• 100-42-5 styrene 
• 102921-26-6 (1,2-dibromoethyl)benzene 
• 1220698-67-8 4-methyl-1-phenyl-1-pentyn-3-yl formate 
• 22174-62-5 (3-methoxy-4-methylpent-1-ynyl)benzene 

Downstream Products

• 1283231-61-7 (Z)-4,4,5,5-tetramethyl-2-(4-methyl-1-phenylpent-1-en-2-yl)-1,3,2-dioxaborolane 
• 1385029-65-1 (S)-methyl 2-isobutyl-1,3-diphenylcycloprop-2-enecarboxylate 
• 21834-92-4 5-methyl-2-phenyl-2-hexenal 
• 1236188-42-3 1-(4-(5-(4-isobutyl-5-phenylisoxazol-3-yl)-1,2,4-oxadiazol-3-yl)benzyl)-azetidine-3-carboxylic acid 
• 1236188-95-6 tert-butyl 1-(4-(5-(4-isobutyl-5-phenylisoxazol-3-yl)-1,2,4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylate 
• 1236188-94-5 4-isobutyl-5-phenylisoxazole-3-carboxylic acid lithium salt 
• 1377578-71-6 2-isobutyl-3-phenyl-1H-pyrrolo[3,2-c]pyridine 
• 1377578-88-5 3-isobutyl-2-phenyl-1H-pyrrolo[3,2-c]pyridine 
• 1155766-12-3 (Z)-2-isobutyl-1-phenyl-1-hexene 
• 1351520-78-9 (Z)-2-isobutyl-1-phenyl-1-hexene 
• 1275621-12-9 (3,3-difluoro-2-isobutylcycloprop-1-enyl)benzene 
• 1236188-93-4 methyl 4-isobutyl-5-phenylisoxazole-3-carboxylate 

Relevant articles and documents

Iron-catalyzed arylmagnesiation of aryl(alkyl)acetylenes in the presence of an N-heterocyclic carbene ligand

(Chemical Equation Presented) Addition of arylmagnesium bromides to aryl(alkyl)acetylenes proceeded in the presence of an iron catalyst and a N-heterocyclic carbene ligand to give high yields of the corresponding alkenylmagnesium reagents, which were transformed into tetrasubstituted alkenes by subsequent treatment with electrophiles.

Binuclear Pd(I)-Pd(I) Catalysis Assisted by Iodide Ligands for Selective Hydroformylation of Alkenes and Alkynes

Since its discovery in 1938, hydroformylation has been thoroughly investigated and broadly applied in industry (>107 metric ton yearly). However, the ability to precisely control its regioselectivity with well-established Rh- or Co-catalysts has thus far proven elusive, thereby limiting access to many synthetically valuable aldehydes. Pd-catalysts represent an appealing alternative, yet their use remains sparse due to undesired side-processes. Here, we report a highly selective and exceptionally active catalyst system that is driven by a novel activation strategy and features a unique Pd(I)-Pd(I) mechanism, involving an iodide-assisted binuclear step to release the product. This method enables β-selective hydroformylation of a large range of alkenes and alkynes, including sensitive starting materials. Its utility is demonstrated in the synthesis of antiobesity drug Rimonabant and anti-HIV agent PNU-32945. In a broader context, the new mechanistic understanding enables the development of other carbonylation reactions of high importance to chemical industry.

Selective synthesis of allenes and alkynes through ligand-controlled, palladium-catalyzed decarboxylative hydrogenolysis of propargylic formates

Ligand-controlled regioselective palladium-catalyzed decarboxylative hydrogenolysis of propargylic formates is described. A wide range of allenes and alkynes were obtained by using either 1,2-diphenylphosphinoethane (DPPE) or 1,6-bisdiphenylphosphinohexane (DPPH) as a catalyst ligand.