6529-51-7

Basic information

• Product Name: 4-METHYLPHENETHYL BROMIDE 97
• Synonyms: 4-METHYLPHENETHYL BROMIDE 97;4-(2-Bromoethyl)toluene, 4-Methyl-1-(2-bromoethyl)benzene;2-(p-Tolyl)ethyl bromide;p-(2-Bromoethyl)toluene;1-(2-Bromoethyl)-4-methylbenzene;4-Methylphenethyl bromide;4-Methylphenethyl broMide 97%
• CAS NO: 6529-51-7
• Molecular Formula: C₉H₁₁Br
• Molecular Weight: 199.09
• Mol File: 6529-51-7.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 100-101 °C9 mm Hg
• Flash Point: 230 °F
• Appearance: /
• Density: 1.306 g/mL at 25 °C
• Refractive Index: n20/D 1.550
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: 4-METHYLPHENETHYL BROMIDE 97(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHYLPHENETHYL BROMIDE 97(6529-51-7)
• EPA Substance Registry System: 4-METHYLPHENETHYL BROMIDE 97(6529-51-7)

Safety Data

• Hazard Codes: Xn,N
• Statements: 22-37/38-41-51/53
• Safety Statements: 26-39-61
• RIDADR: UN 3082 9/PG 3
• WGK Germany: 2
• Hazardous Substances Data: 6529-51-7(Hazardous Substances Data)

Usage

General Description

4-Methylphenethyl bromide 97 is a chemical compound with the molecular formula C9H11Br. It is a bromide derivative of the aromatic compound 4-methylphenethyl, and it is known for its use in organic synthesis and pharmaceutical research. This chemical is generally considered to be a halogenated organic compound, and it is commonly used as a reagent in various chemical reactions due to its ability to act as a leaving group in substitution reactions. Its high purity of 97% makes it highly suitable for use in laboratory settings and industrial applications. Overall, 4-methylphenethyl bromide 97 is a versatile chemical with a variety of potential uses in organic chemistry and chemical synthesis.

InChI:InChI=1/C9H7NO3S/c11-14(12,13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6H,(H,11,12,13)

Upstream product

• 106-38-7 para-bromotoluene 
• 14062-19-2 p-tolylacetic acid ethyl ester 
• 622-97-9 1-ethenyl-4-methylbenzene 
• 23786-13-2 methyl p-tolylacetate 
• 6749-78-6 4-methylphenylmagnesium iodide 
• 768-90-1 1-Adamantyl bromide 
• 699-02-5 4-Methylphenethyl alcohol 
• 4294-57-9 para-methylphenylmagnesium bromide 
• 622-47-9 4-tolylacetic acid 

Downstream Products

• 17734-31-5 N,N-diethyl-2-(4-methylphenyl)-ethanamine 
• 51125-14-5 1-methyl-4-pent-4-enylbenzene 
• 88106-95-0 4-methyl-β-phenethylsulfonyl chloride 
• 54664-51-6 4-methyl-β-phenethylsulfonyl azide 
• 97094-66-1 4-methyl-β-phenethylsulfonamide 
• 76653-11-7 N-cyclohexyl-4-methyl-β-phenethylsulfonamide 
• 137068-94-1 5-{3-[N-(4-Methylphenethyl)-N-methylamino]propionyl }-10,11-dihydrodibenzo [b,e][1,4]diazepin-11-one 
• 1160298-48-5 (2,3-dimethoxyphenyl)-(1-(2-p-tolylethyl)-piperidin-4-yl)-methanol 
• 1160298-41-8 4-(2-methoxy-3-(t-butyldiphenylsilyloxy)-benzoyl)-1-(2-p-tolylethyl)-piperidine 
• 1192872-80-2 cis-5-(p-tolyl)-2-pentene 
• 1203476-31-6 3-oxo-2-(2-p-tolylethyl)-butyric acid methyl ester 
• 1382354-21-3 2-{3-(4-methylphenethoxy)phenylamino}benzamide 
• 1446754-46-6 C₁₅H₂₈BP 

Relevant articles and documents

Cascade bio-hydroxylation and dehalogenation for one-pot enantioselective synthesis of optically active β-halohydrins from halohydrocarbons

A stereoselective hydroxylation and enantioselective dehalogenation cascade reaction was developed for the synthesis of optically active β-haloalcohols from halohydrocarbons. This cascade system employed P450 and halohydrin dehalogenase as two compatible biocatalysts, allowing a straightforward, greener and efficient access to β-halohydrins with excellent enantioselectivities (98-99%).

Enantioselective epoxidation of nonconjugated cis-olefins by chiral dioxirane

A variety of nonconjugated cis-olefins has been enantioselectively epoxidized with chiral ketones 2, and up to 92% ee has been obtained. The two prochiral faces of an olefin are likely stereodifferentiated by the relative hydrophobicity of the olefin substituents and/or allylic oxygen functionality.

Thermodynamic Stabilities of Phenonium Ions Based on Bromide-Transfer Equilibria in the Gas Phase

The thermodynamic stabilities of the phenonium (ethylenebenzenium) ion and ring-substituted derivatives were determined based on the bromide-transfer equilibria in the gas phase. It has been shown that the phenonium ion is 2.4 kcal mol-1 more stable than the t-butyl cation, and that the substituent effect on its stability can be correlated with the Yukawa-Tsuno equation with a ρ value of -12.6 and an r+ of 0.62. An r+ value smaller than unity of the α-cumyl(1-methyl-1-phenylethyl) cation suggested that π-delocalization in the phenonium ion is essentially less effective than through a benzylic π-interaction. On the other hand, the ρ value of -12.6 is distinctly larger than that for the ordinary benzylic carbocation systems, but is comparable to that of the benzenium ion. In addition, it has been found that the r+ value of the phenonium ions in the gas phase is in complete agreement with that for the aryl-assisted process in the acetolysis of 2-arylethyl toluenesulfonates. This suggests that the degree of π-delocalization of the positive charge is the same in the transition state and the intermediate cation. It is concluded that an r+ value of 0.6, which is ranked at a unique position in the continuous spectrum of the resonance demand, is characteristic of the bridged structure of the phenonium ion intermediate and the transition state.