5359-04-6

Basic information

• Product Name: Ethanone, 1-[4-(1-methylethenyl)phenyl]- (9CI)
• Synonyms: Ethanone, 1-[4-(1-methylethenyl)phenyl]- (9CI);4'-(1-Methylethenyl)acetophenone;4'-Isopropenylacetophenone;α-Methyl-4-acetylstyrene;p-Isopropenylacetophenone;1-(4-prop-1-en-2-ylphenyl)ethanone
• CAS NO: 5359-04-6
• Molecular Formula: C₁₁H₁₂O
• Molecular Weight: 160.21238
• Product Categories: ACETYLGROUP
• Mol File: 5359-04-6.mol
• Article Data: 8

Chemical Properties

• Melting Point: 53 °C
• Boiling Point: 266.4 °C at 760 mmHg
• Flash Point: 108.8 °C
• Appearance: /
• Density: 0.96 g/cm³
• Vapor Pressure: 0.00864mmHg at 25°C
• Refractive Index: 1.517
• CAS DataBase Reference: Ethanone, 1-[4-(1-methylethenyl)phenyl]- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Ethanone, 1-[4-(1-methylethenyl)phenyl]- (9CI)(5359-04-6)
• EPA Substance Registry System: Ethanone, 1-[4-(1-methylethenyl)phenyl]- (9CI)(5359-04-6)

Safety Data

• Hazardous Substances Data: 5359-04-6(Hazardous Substances Data)

Usage

General Description

Ethanone, 1-[4-(1-methylethenyl)phenyl]- (9CI) is a chemical compound with the molecular formula C11H12O. It is a ketone that contains a phenyl group with a 1-methylethenyl (isopropenyl) substitution at the 4-position. Ethanone, 1-[4-(1-methylethenyl)phenyl]- (9CI) is also known as p-Isopropenylacetophenone and is commonly used as a fragrance and flavoring agent in the perfume and food industries. It has a sweet, floral odor and is often found in floral scents and flavorings. Additionally, it has been used in research as a precursor for the synthesis of other organic compounds. Overall, Ethanone, 1-[4-(1-methylethenyl)phenyl]- (9CI) is a versatile chemical with various industrial and research applications.

InChI:InChI=1/C11H12O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-7H,1H2,2-3H3

Upstream product

• 54549-72-3 1-(4-(2-hydroxypropan-2-yl)phenyl)ethan-1-one 
• 107844-05-3 5-acetyl-3',3'-dimethylbicyclo<3.1.0>hex-3-ene-2-spiro-2'-oxirane 
• 13329-40-3 4-Iodoacetophenone 
• 288321-56-2 1-Methyl-1-(1'-methylethenyl)silacyclobutane 
• 99-90-1 para-bromoacetophenone 
• 14559-87-6 isopropenylboronic acid 
• 108-22-5 Isopropenyl acetate 
• 39575-67-2 (4-(2-methyl-1,3-dioxolan-2-yl)phenyl)magnesium bromide 
• 98-55-5 terpineol 
• 55873-39-7 4-isopropylidenecyclopentenyl methyl ketone 
• 101536-86-1 <4-(1-hydroperoxy-1-methylethyl)-1,3-cyclopentadien-1-yl>-1-ethanone 
• 107856-91-7 6a-acetyl-3,3a,4,6a-tetrahydro-2',2'-dimethyl-spiro 
• 4360-68-3 2-(4-bromophenyl)-2-methyl-1,3-dioxolane 

Downstream Products

• 73441-43-7 α-methyl-4-isopropylbenzylamine 
• 98405-01-7 1-(4-Isopropylphenyl)-ethylamine*mandelic acid 
• 98405-01-7 1-(4-Isopropylphenyl)-ethylamine*mandelic acid salt 
• 54549-72-3 1-(4-(2-hydroxypropan-2-yl)phenyl)ethan-1-one 

Relevant articles and documents

Asymmetric hydrogenation of α,β-unsaturated nitriles with base-activated iridium N,P ligand complexes

Although many chiral catalysts are known that allow highly enantioselective hydrogenation of a wide range of olefins, no suitable catalysts for the asymmetric hydrogenation of α,β-unsaturated nitriles have been reported so far. We have found that Ir N,P ligand complexes, which under normal conditions do not show any reactivity towards α,β-unsaturated nitriles, become highly active catalysts upon addition of N,N- diisopropylethylamine. The base-activated catalysts enable conjugate reduction of α,β-unsaturated nitriles with H2 at low catalyst loadings, affording the corresponding saturated nitriles with high conversion and excellent enantioselectivity. In contrast, alkenes lacking a conjugated cyano group do not react under these conditions, making it possible to selectively reduce the conjugated C=C bond of an α,β-unsaturated nitrile, while leaving other types of C=C bonds in the molecule intact.

Cobalt-catalyzed vinylation of functionalized aryl halides with vinyl acetates

A new method for the preparation of styrene derivatives is described on the basis of the activation of aryl halides by low-valent cobalt species. A combination of CoII bromide and 2,2′-bipyridine is suitable as catalyst for the cross-coupling reaction of a wide range of aromatic halides (X = Cl, Br, I), mostly bearing sensitive moieties, with vinyl acetates. These reactions proceed under mild conditions in the presence of the appropriate reducing agent to afford α-substituted styrene compounds in satisfactory to high yields. Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005.

Suzuki cross-coupling reactions of potassium alkenyltrifluoroborates

(formula presented) The palladium-catalyzed coupling reaction of potassium alkenyltrifluoroborates with aryl or alkenyl halides or triflates proceeds readily with good yields. The trifluoroborates are air-and moisture-stable solids that can be stored indefinitely. The cross-coupling can be effected using PdCl2(dppf)-CH2Cl2 as the catalyst in n-PrOH in the presence of Et3N. A variety of functional groups are tolerated. ? Dedicated to Professor Herbert C. Brown on the occasion of his 90th birthday.