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

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

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

Downstream Products

• 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 
• 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 
• 1385029-65-1 (S)-methyl 2-isobutyl-1,3-diphenylcycloprop-2-enecarboxylate 
• 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 
• 1283231-61-7 (Z)-4,4,5,5-tetramethyl-2-(4-methyl-1-phenylpent-1-en-2-yl)-1,3,2-dioxaborolane 
• 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.

Copper-Catalyzed Synthesis of Tetrasubstituted Alkenes via Regio- and anti-Selective Addition of Silylboronates to Internal Alkynes

As a new and complementary method for the synthesis of structurally defined tetrasubstituted alkenes, a copper-catalyzed regio- and anti-selective addition of silylboronates to unsymmetric internal alkynes has been developed. A variety of unactivated alky

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.

Diverse reactivity in a rhodium(III)-catalyzed oxidative coupling of N-allyl arenesulfonamides with alkynes

Olefinic CiH activation of N-allyl sulfonamides in the presence of [{RhCpCl2}2] (Cp=Me5C5) enabled their oxidative coupling with alkynes to generate 1,2-dihydropyridines, pyridines, and cyclopentenones (see scheme; Ts=p-toluenesulfonyl). The type of highly substituted product formed was controlled by the substitution of the allyl group and the reaction conditions. Copyright

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.

Generation of allenic/propargylic zirconium complexes and subsequent cross-coupling reactions: A facile synthesis of multisubstituted allenes

(Chemical Equation Presented) The β-alkoxide elimination reaction of propargylic ether with Negishi reagent leads to allenes and/or alkynes after hydrolysis. The product distribution is highly dependent on the substitution pattern of starting propargylic

Vinylic Organoboranes. 1. A Convenient Synthesis of Acetylenes via the Reaction of Lithium (1-Alkynyl)organoborates with Iodine

Lithium (1-alkynyl)organoborates, readily prepared from organoboranes and lithium acetylides, undergo a facile reaction at low temperature with iodine to for internal acetylenes in high yield.Unlike conventional methods for the preparation of acetylenes via nucleophilic displacement, the reaction is applicable to both primary and secondary as well as aromatic and functionally substituted groups.The use of lithium acetylide-ethylenediamine form the formation of the organoborate extends the reaction to terminal acetylenes.This reaction occurs with complete retention of the configuration about the boron-carbon bond.The procedure, with its exceptionally broad applicability, provides a simple, general route to internal and terminal acetylenes.

Choix des methodes pour la synthese univoque de carbures acetyleniques. Troisieme partie : Arylacetylenes et aryl-1 alcynes-1

The range of applicability of six syntheses of pure alkynes with one aryl group has been defined; a short review of other possible procedures is included.We have specified the best method to obtain selectively the alkynes Ar-CCH and Ar-CC-R, according to the nature of the substituents of the aryl group and according to the developed structure of the R group.It is thus possible to recommend with the largest probability of success the method to obtain, in homogenous series, alkynes corresponding to still more complicated structures.

Ethynylbenzene compounds and derivatives thereof in the treatment of pain, fever or inflammation

A method of treating inflammation, pain or fever in a warm blooded animal by administering an effective amount of a compound which is a cyano ethynylbenzene, and the pharmaceutical preparation thereof.

Ethynylbenzene compounds and derivatives thereof

Novel ethynylbenzene compounds and derivatives are described. Their use in the treatment of inflammation is also disclosed.